MMsINC Database Search


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MMsINC code: MMs00005215

Type: Neutral
Formula: C₁₀H₈O₂

SMILES:

Oc1cc(O)cc2c1cccc2

InChI:

InChI=1/C10H8O2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6,11-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.8828 kcal/mol

Physical Properties
Molecular Weight: 160.172 g/mol	logS: -2.53886	SlogP: 2.251	Reactive groups: 0

Topological Properties
Globularity: 0.012282	Sterimol/B1: 2.22751	Sterimol/B2: 2.23161	Sterimol/B3: 3.16859
Sterimol/B4: 5.49392	Sterimol/L: 10.3519

Surface and Volume Properties
Accessible surface: 343.445	Positive charged surface: 186.97	Negative charged surface: 145.404	Volume: 153.5
Hydrophobic surface: 245.942	Hydrophilic surface: 97.503

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.