MMsINC Database Search


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MMsINC code: MMs02355224

Type: Neutral
Formula: C₇H₆ClNO₂

SMILES:

Clc1cc(ccc1)C(ON)=O

InChI:

InChI=1/C7H6ClNO2/c8-6-3-1-2-5(4-6)7(10)11-9/h1-4H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8084 kcal/mol

Physical Properties
Molecular Weight: 171.583 g/mol	logS: -2.58682	SlogP: 1.3705	Reactive groups: 0

Topological Properties
Globularity: 0.00472067	Sterimol/B1: 2.12385	Sterimol/B2: 2.17359	Sterimol/B3: 2.74391
Sterimol/B4: 6.03694	Sterimol/L: 10.8797

Surface and Volume Properties
Accessible surface: 337.73	Positive charged surface: 150.966	Negative charged surface: 186.764	Volume: 143.125
Hydrophobic surface: 223.995	Hydrophilic surface: 113.735

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.