MMsINC Database Search


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MMsINC code: MMs03378531

Type: Neutral
Formula: C₇H₇ClO₂

SMILES:

Clc1ccc(O)c(O)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.3041 kcal/mol

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

Topological Properties
Globularity: 0.049833	Sterimol/B1: 2.02197	Sterimol/B2: 2.49258	Sterimol/B3: 3.61766
Sterimol/B4: 5.01332	Sterimol/L: 8.67125

Surface and Volume Properties
Accessible surface: 316.554	Positive charged surface: 164.327	Negative charged surface: 152.227	Volume: 136.75
Hydrophobic surface: 226.664	Hydrophilic surface: 89.89

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.