MMsINC Database Search


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MMsINC code: MMs02995106

Type: Neutral
Formula: C₂₄H₁₈O₂

SMILES:

Oc1c(-c2ccccc2)c(O)c(cc1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H18O2/c25-23-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)24(26)22(23)19-14-8-3-9-15-19/h1-16,25-26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.779 kcal/mol

Physical Properties
Molecular Weight: 338.406 g/mol	logS: -7.94012	SlogP: 6.0988	Reactive groups: 0

Topological Properties
Globularity: 0.123815	Sterimol/B1: 2.584	Sterimol/B2: 3.34211	Sterimol/B3: 3.55323
Sterimol/B4: 11.116	Sterimol/L: 14.605

Surface and Volume Properties
Accessible surface: 609.826	Positive charged surface: 331.036	Negative charged surface: 269.091	Volume: 341.125
Hydrophobic surface: 557.068	Hydrophilic surface: 52.758

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

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Ions/Tautomers related molecules: no related molecules available.