MMsINC Database Search


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MMsINC code: MMs02297540

Type: Neutral
Formula: C₃₀H₂₂O

SMILES:

Oc1c(c(cc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C30H22O/c31-30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)29(30)25-19-11-4-12-20-25/h1-21,31H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.903 kcal/mol

Physical Properties
Molecular Weight: 398.505 g/mol	logS: -10.7284	SlogP: 8.0602	Reactive groups: 0

Topological Properties
Globularity: 0.0940078	Sterimol/B1: 2.62007	Sterimol/B2: 3.38822	Sterimol/B3: 3.51373
Sterimol/B4: 7.87772	Sterimol/L: 14.6246

Surface and Volume Properties
Accessible surface: 665.052	Positive charged surface: 389.11	Negative charged surface: 266.47	Volume: 410.125
Hydrophobic surface: 637.315	Hydrophilic surface: 27.737

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: 0

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Ions/Tautomers related molecules: no related molecules available.