MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03378655

Type: Neutral
Formula: C₂₃H₃₂O₂

SMILES:

Oc1cc(C)c(cc1C(C)(C)C)Cc1cc(C(C)(C)C)c(O)cc1C

InChI:

InChI=1/C23H32O2/c1-14-9-20(24)18(22(3,4)5)12-16(14)11-17-13-19(23(6,7)8)21(25)10-15(17)2/h9-10,12-13,24-25H,11H2,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.509 kcal/mol

Physical Properties
Molecular Weight: 340.507 g/mol	logS: -7.13746	SlogP: 5.90041	Reactive groups: 0

Topological Properties
Globularity: 0.230131	Sterimol/B1: 2.45445	Sterimol/B2: 3.65882	Sterimol/B3: 7.00739
Sterimol/B4: 7.39038	Sterimol/L: 14.1853

Surface and Volume Properties
Accessible surface: 584.654	Positive charged surface: 389.719	Negative charged surface: 194.935	Volume: 369.625
Hydrophobic surface: 431.729	Hydrophilic surface: 152.925

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.