MMsINC Database Search


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MMsINC code: MMs03462241

Type: Neutral
Formula: C₂₃H₃₂O

SMILES:

Oc1c(cc(cc1C(C)(C)C)Cc1ccc(cc1C)C)C(C)(C)C

InChI:

InChI=1/C23H32O/c1-15-9-10-18(16(2)11-15)12-17-13-19(22(3,4)5)21(24)20(14-17)23(6,7)8/h9-11,13-14,24H,12H2,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.044 kcal/mol

Physical Properties
Molecular Weight: 324.508 g/mol	logS: -7.49941	SlogP: 6.19481	Reactive groups: 0

Topological Properties
Globularity: 0.161664	Sterimol/B1: 2.2571	Sterimol/B2: 5.60244	Sterimol/B3: 5.83297
Sterimol/B4: 6.58666	Sterimol/L: 14.1104

Surface and Volume Properties
Accessible surface: 599.126	Positive charged surface: 392.813	Negative charged surface: 206.313	Volume: 364.25
Hydrophobic surface: 487.267	Hydrophilic surface: 111.859

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

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Ions/Tautomers related molecules: no related molecules available.