MMsINC Database Search


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MMsINC code: MMs02747856

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

o1c2c(cc(O)cc2)c(c1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C20H14O2/c21-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)20(22-18)15-9-5-2-6-10-15/h1-13,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3303 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -7.28982	SlogP: 5.4724	Reactive groups: 0

Topological Properties
Globularity: 0.0980019	Sterimol/B1: 2.45928	Sterimol/B2: 3.3448	Sterimol/B3: 3.63346
Sterimol/B4: 8.67397	Sterimol/L: 14.1293

Surface and Volume Properties
Accessible surface: 523.554	Positive charged surface: 299.626	Negative charged surface: 218.961	Volume: 284.875
Hydrophobic surface: 463.672	Hydrophilic surface: 59.882

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.