MMsINC Database Search


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MMsINC code: MMs02890983

Type: Neutral
Formula: C₈H₆O₂

SMILES:

o1c2c(cccc2O)cc1

InChI:

InChI=1/C8H6O2/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.2636 kcal/mol

Physical Properties
Molecular Weight: 134.134 g/mol	logS: -2.46826	SlogP: 2.1384	Reactive groups: 0

Topological Properties
Globularity: 0.00886634	Sterimol/B1: 2.14922	Sterimol/B2: 2.2371	Sterimol/B3: 2.81378
Sterimol/B4: 5.41701	Sterimol/L: 9.53789

Surface and Volume Properties
Accessible surface: 307.307	Positive charged surface: 155.71	Negative charged surface: 144.939	Volume: 127.5
Hydrophobic surface: 244.085	Hydrophilic surface: 63.222

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.