MMsINC Database Search


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MMsINC code: MMs01229786

Type: Neutral
Formula: C₁₄H₁₀Cl₃NO

SMILES:

Clc1ccccc1CNC(=O)c1cc(Cl)c(Cl)cc1

InChI:

InChI=1/C14H10Cl3NO/c15-11-4-2-1-3-10(11)8-18-14(19)9-5-6-12(16)13(17)7-9/h1-7H,8H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.2154 kcal/mol

Physical Properties
Molecular Weight: 314.599 g/mol	logS: -5.50178	SlogP: 4.8432	Reactive groups: 0

Topological Properties
Globularity: 0.0771467	Sterimol/B1: 2.41777	Sterimol/B2: 4.59381	Sterimol/B3: 5.09082
Sterimol/B4: 5.9283	Sterimol/L: 15.2212

Surface and Volume Properties
Accessible surface: 515.918	Positive charged surface: 187.633	Negative charged surface: 328.285	Volume: 264.125
Hydrophobic surface: 472.505	Hydrophilic surface: 43.413

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.