MMsINC Database Search


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MMsINC code: MMs03360101

Type: Neutral
Formula: C₇H₇ClO₂

SMILES:

Clc1c(cc(O)cc1O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.1781 kcal/mol

Physical Properties
Molecular Weight: 158.584 g/mol	logS: -1.55574	SlogP: 2.05962	Reactive groups: 0

Topological Properties
Globularity: 0.0443818	Sterimol/B1: 2.02155	Sterimol/B2: 2.48882	Sterimol/B3: 3.80875
Sterimol/B4: 4.8416	Sterimol/L: 8.78709

Surface and Volume Properties
Accessible surface: 319.665	Positive charged surface: 168.12	Negative charged surface: 151.545	Volume: 136.875
Hydrophobic surface: 222.785	Hydrophilic surface: 96.88

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.