MMsINC Database Search


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MMsINC code: MMs03494593

Type: Neutral
Formula: C₇H₇ClO₂

SMILES:

Clc1cccc(OC)c1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.0328 kcal/mol

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

Topological Properties
Globularity: 0.0288933	Sterimol/B1: 2.32918	Sterimol/B2: 2.4167	Sterimol/B3: 4.06649
Sterimol/B4: 4.39054	Sterimol/L: 10.6616

Surface and Volume Properties
Accessible surface: 327.698	Positive charged surface: 188.329	Negative charged surface: 139.369	Volume: 139.375
Hydrophobic surface: 275.626	Hydrophilic surface: 52.072

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.