MMsINC Database Search


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MMsINC code: MMs01975508

Type: Neutral
Formula: C₁₃H₉Cl₂NO₂

SMILES:

Clc1ccc(Cl)cc1NC(=O)c1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.9677 kcal/mol

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

Topological Properties
Globularity: 0.0155047	Sterimol/B1: 2.34115	Sterimol/B2: 2.94518	Sterimol/B3: 3.37275
Sterimol/B4: 6.29244	Sterimol/L: 14.8233

Surface and Volume Properties
Accessible surface: 469.99	Positive charged surface: 192.375	Negative charged surface: 277.615	Volume: 238.125
Hydrophobic surface: 386.373	Hydrophilic surface: 83.617

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.