MMsINC Database Search


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MMsINC code: MMs02176135

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

Oc1c2c(ccc1-c1ccc3c(cccc3)c1O)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.5781 kcal/mol

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

Topological Properties
Globularity: 0.0631426	Sterimol/B1: 3.06395	Sterimol/B2: 3.37218	Sterimol/B3: 3.39364
Sterimol/B4: 4.31798	Sterimol/L: 16.4018

Surface and Volume Properties
Accessible surface: 517.179	Positive charged surface: 271.735	Negative charged surface: 221.985	Volume: 277
Hydrophobic surface: 456.429	Hydrophilic surface: 60.75

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.