MMsINC Database Search


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MMsINC code: MMs00515661

Type: Neutral
Formula: C₁₅H₁₀Cl₂F₃NO₂

SMILES:

Clc1ccc(cc1NC(=O)COc1ccc(Cl)cc1)C(F)(F)F

InChI:

InChI=1/C15H10Cl2F3NO2/c16-10-2-4-11(5-3-10)23-8-14(22)21-13-7-9(15(18,19)20)1-6-12(13)17/h1-7H,8H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.042 kcal/mol

Physical Properties
Molecular Weight: 364.15 g/mol	logS: -5.95682	SlogP: 5.3412	Reactive groups: 0

Topological Properties
Globularity: 0.0145996	Sterimol/B1: 2.10214	Sterimol/B2: 2.86986	Sterimol/B3: 3.169
Sterimol/B4: 7.03478	Sterimol/L: 17.6158

Surface and Volume Properties
Accessible surface: 556.547	Positive charged surface: 192.556	Negative charged surface: 363.991	Volume: 279.875
Hydrophobic surface: 408.585	Hydrophilic surface: 147.962

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.