MMsINC Database Search


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MMsINC code: MMs02182499

Type: Neutral
Formula: C₃₂H₂₂O₂

SMILES:

O(C(=O)c1cc2c3cc(ccc3ccc2cc1)\C=C/c1cc2c3c(ccc2cc1)cccc3)C

InChI:

InChI=1/C32H22O2/c1-34-32(33)27-17-16-26-15-14-25-11-9-22(19-30(25)31(26)20-27)7-6-21-8-10-24-13-12-23-4-2-3-5-28(23)29(24)18-21/h2-20H,1H3/b7-6-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.503 kcal/mol

Physical Properties
Molecular Weight: 438.526 g/mol	logS: -12.1523	SlogP: 8.2564	Reactive groups: 0

Topological Properties
Globularity: 0.0435368	Sterimol/B1: 2.69512	Sterimol/B2: 3.54184	Sterimol/B3: 4.81323
Sterimol/B4: 7.24253	Sterimol/L: 22.4057

Surface and Volume Properties
Accessible surface: 718.62	Positive charged surface: 394.436	Negative charged surface: 287.807	Volume: 435.875
Hydrophobic surface: 679.411	Hydrophilic surface: 39.209

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.