MMsINC Database Search


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MMsINC code: MMs02990234

Type: Neutral
Formula: C₁₃H₉Cl₂NO₂

SMILES:

Clc1cc(NC(=O)c2cc(Cl)ccc2)ccc1O

InChI:

InChI=1/C13H9Cl2NO2/c14-9-3-1-2-8(6-9)13(18)16-10-4-5-12(17)11(15)7-10/h1-7,17H,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4424 kcal/mol

Physical Properties
Molecular Weight: 282.126 g/mol	logS: -4.4615	SlogP: 3.9513	Reactive groups: 0

Topological Properties
Globularity: 0.0188291	Sterimol/B1: 2.30889	Sterimol/B2: 3.18294	Sterimol/B3: 3.5634
Sterimol/B4: 5.86757	Sterimol/L: 14.8283

Surface and Volume Properties
Accessible surface: 480.207	Positive charged surface: 195.496	Negative charged surface: 284.711	Volume: 235.125
Hydrophobic surface: 398.099	Hydrophilic surface: 82.108

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.