MMsINC Database Search


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MMsINC code: MMs00693339

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

Oc1cc2c(cc(cc2)-c2cc3c(cc(O)cc3)cc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6285 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -6.84312	SlogP: 5.0712	Reactive groups: 0

Topological Properties
Globularity: 0.00228572	Sterimol/B1: 2.09804	Sterimol/B2: 2.19077	Sterimol/B3: 2.5209
Sterimol/B4: 6.15251	Sterimol/L: 17.6556

Surface and Volume Properties
Accessible surface: 521.061	Positive charged surface: 253.957	Negative charged surface: 233.89	Volume: 280.75
Hydrophobic surface: 417.621	Hydrophilic surface: 103.44

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.