MMsINC Database Search


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MMsINC code: MMs02274170

Type: Neutral
Formula: C₂₀H₁₂O₂

SMILES:

Oc1c2c3c4c(c5c2c(cc1)ccc5)cccc4ccc3O

InChI:

InChI=1/C20H12O2/c21-15-9-7-11-3-1-5-13-14-6-2-4-12-8-10-16(22)20(18(12)14)19(15)17(11)13/h1-10,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.799 kcal/mol

Physical Properties
Molecular Weight: 284.314 g/mol	logS: -7.624	SlogP: 5.1484	Reactive groups: 0

Topological Properties
Globularity: 0.0443401	Sterimol/B1: 2.43962	Sterimol/B2: 2.70988	Sterimol/B3: 3.48535
Sterimol/B4: 7.68558	Sterimol/L: 12.2127

Surface and Volume Properties
Accessible surface: 469.94	Positive charged surface: 240.395	Negative charged surface: 188.379	Volume: 267.5
Hydrophobic surface: 395.417	Hydrophilic surface: 74.523

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: 0

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Ions/Tautomers related molecules: no related molecules available.