MMsINC Database Search


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MMsINC code: MMs02216595

Type: Neutral
Formula: C₁₄H₁₀O₂

SMILES:

Oc1c2c(c3c(c1)c(O)ccc3)cccc2

InChI:

InChI=1/C14H10O2/c15-13-7-3-6-10-9-4-1-2-5-11(9)14(16)8-12(10)13/h1-8,15-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8877 kcal/mol

Physical Properties
Molecular Weight: 210.232 g/mol	logS: -4.41674	SlogP: 3.4042	Reactive groups: 0

Topological Properties
Globularity: 0.0080596	Sterimol/B1: 2.1304	Sterimol/B2: 2.24963	Sterimol/B3: 2.66221
Sterimol/B4: 6.54167	Sterimol/L: 12.1289

Surface and Volume Properties
Accessible surface: 400.729	Positive charged surface: 204.166	Negative charged surface: 174.421	Volume: 201.5
Hydrophobic surface: 310.822	Hydrophilic surface: 89.907

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.