MMsINC Database Search


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MMsINC code: MMs00010134

Type: Neutral
Formula: C₁₁H₈O

SMILES:

O=Cc1cc2c(cc1)cccc2

InChI:

InChI=1/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.1965 kcal/mol

Physical Properties
Molecular Weight: 156.184 g/mol	logS: -3.26887	SlogP: 2.6523	Reactive groups: 1

Topological Properties
Globularity: 2.01563e-07	Sterimol/B1: 2.09731	Sterimol/B2: 2.09846	Sterimol/B3: 3.88844
Sterimol/B4: 4.4054	Sterimol/L: 11.5256

Surface and Volume Properties
Accessible surface: 347.262	Positive charged surface: 179.298	Negative charged surface: 156.893	Volume: 159.125
Hydrophobic surface: 285.646	Hydrophilic surface: 61.616

Pharmacophoric Properties
Hydrogen bond donors: 0	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.