MMsINC Database Search


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MMsINC code: MMs03547088

Type: Neutral
Formula: C₉H₇ClO

SMILES:

ClCc1oc2c(c1)cccc2

InChI:

InChI=1/C9H7ClO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.6909 kcal/mol

Physical Properties
Molecular Weight: 166.607 g/mol	logS: -3.72197	SlogP: 3.438	Reactive groups: 1

Topological Properties
Globularity: 0.0296942	Sterimol/B1: 2.22344	Sterimol/B2: 3.24113	Sterimol/B3: 3.56005
Sterimol/B4: 4.67078	Sterimol/L: 11.1392

Surface and Volume Properties
Accessible surface: 352.375	Positive charged surface: 162.336	Negative charged surface: 184.196	Volume: 153.75
Hydrophobic surface: 258.502	Hydrophilic surface: 93.873

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.