MMsINC Database Search


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MMsINC code: MMs02998934

Type: Neutral
Formula: C₁₄H₉ClF₃NO₂

SMILES:

Clc1ccc(cc1NC(=O)c1ccccc1O)C(F)(F)F

InChI:

InChI=1/C14H9ClF3NO2/c15-10-6-5-8(14(16,17)18)7-11(10)19-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0215 kcal/mol

Physical Properties
Molecular Weight: 315.678 g/mol	logS: -4.78376	SlogP: 4.6282	Reactive groups: 0

Topological Properties
Globularity: 0.0274195	Sterimol/B1: 2.39513	Sterimol/B2: 3.33162	Sterimol/B3: 4.28214
Sterimol/B4: 5.37818	Sterimol/L: 14.3418

Surface and Volume Properties
Accessible surface: 491.051	Positive charged surface: 184.492	Negative charged surface: 306.558	Volume: 249.5
Hydrophobic surface: 319.656	Hydrophilic surface: 171.395

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.