Responsive image

Common name

(1R,5S)-6,6-dimethylnorpinane

IUPAC name

(1R,5S)-6,6-dimethylnorpinane

SMILES

C12C(C(C1)CCC2)(C)C

Common name

(1R,5S)-6,6-dimethylnorpinane

IUPAC name

(1R,5S)-6,6-dimethylnorpinane

SMILES

C12C(C(C1)CCC2)(C)C

INCHI

InChI=1S/C9H16/c1-9(2)7-4-3-5-8(9)6-7/h7-8H,3-6H2,1-2H3/t7-,8+

FORMULA

C9H16

Responsive image

Common name

(1R,5S)-6,6-dimethylnorpinane

IUPAC name

(1R,5S)-6,6-dimethylnorpinane





Molecular weight

124.223

clogP

2.781

clogS

-2.077

Frequency

0.0003





HBond Acceptor

0

HBond Donor

0

Total Polar
Surface Area

0

Number of Rings

2

Rotatable Bond

0

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01672 Pinaverium Responsive image Alimentary Tract and Metabolism; Drugs for Functional Gastrointestinal Disorders;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2zmj_ligand_frag_1.mol2 2zmj 0.875 -7.69 C1[C@H]2C[C@H]3C[C@@H]1C[C@H](C3)C2 10
5alz_ligand_frag_2.mol2 5alz 0.875 -7.67 [C@@H]12C[C@H]3C[C@@H](C1)C[C@H](C3)C2 10
3hy5_ligand_frag_0.mol2 3hy5 0.875 -7.64 C1(CCC[C@H](C1)C)(C)C 9
4ciz_ligand_frag_0.mol2 4ciz 0.875 -7.58 C1(CCC[C@@H](C1)C)(C)C 9
4y2x_ligand_frag_1.mol2 4y2x 0.875 -7.55 C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3 10
5am3_ligand_frag_3.mol2 5am3 0.875 -7.48 C1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3 10
4fxy_ligand_frag_4.mol2 4fxy 0.875 -7.47 C1[C@@H]2C[C@@H]3C[C@H]1C[C@@H](C3)C2 10
254 , 26