MMsINC Database Search


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MMsINC code: MMs02672771

Type: Neutral
Formula: C₇H₇ClO₂

SMILES:

Clc1ccc(OC)cc1O

InChI:

InChI=1/C7H7ClO2/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.2191 kcal/mol

Physical Properties
Molecular Weight: 158.584 g/mol	logS: -1.8076	SlogP: 2.0542	Reactive groups: 0

Topological Properties
Globularity: 0.0247348	Sterimol/B1: 2.3414	Sterimol/B2: 2.40434	Sterimol/B3: 3.50135
Sterimol/B4: 4.39121	Sterimol/L: 10.7763

Surface and Volume Properties
Accessible surface: 329.009	Positive charged surface: 187.092	Negative charged surface: 141.917	Volume: 139.25
Hydrophobic surface: 273.22	Hydrophilic surface: 55.789

Pharmacophoric Properties
Hydrogen bond donors: 1	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.