MMsINC Database Search


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MMsINC code: MMs00625362

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₂

SMILES:

Clc1cc(NC(=O)Cc2ccccc2)cc(Cl)c1O

InChI:

InChI=1/C14H11Cl2NO2/c15-11-7-10(8-12(16)14(11)19)17-13(18)6-9-4-2-1-3-5-9/h1-5,7-8,19H,6H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5678 kcal/mol

Physical Properties
Molecular Weight: 296.153 g/mol	logS: -4.52297	SlogP: 3.88017	Reactive groups: 0

Topological Properties
Globularity: 0.0750884	Sterimol/B1: 3.38294	Sterimol/B2: 4.16715	Sterimol/B3: 4.32748
Sterimol/B4: 4.78398	Sterimol/L: 15.0558

Surface and Volume Properties
Accessible surface: 508.618	Positive charged surface: 234.343	Negative charged surface: 274.275	Volume: 252
Hydrophobic surface: 429.307	Hydrophilic surface: 79.311

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.