MMsINC Database Search


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MMsINC code: MMs02764839

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₂

SMILES:

Clc1cc(NC(=O)Cc2ccc(Cl)cc2)c(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9952 kcal/mol

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

Topological Properties
Globularity: 0.0836076	Sterimol/B1: 2.90594	Sterimol/B2: 3.19631	Sterimol/B3: 4.60679
Sterimol/B4: 6.48707	Sterimol/L: 15.2556

Surface and Volume Properties
Accessible surface: 510.015	Positive charged surface: 233.548	Negative charged surface: 276.467	Volume: 256.125
Hydrophobic surface: 429.985	Hydrophilic surface: 80.03

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.