MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01525008

Type: Neutral
Formula: C₁₅H₁₀ClF₄NO

SMILES:

Clc1ccc(NC(=O)Cc2ccccc2F)cc1C(F)(F)F

InChI:

InChI=1/C15H10ClF4NO/c16-12-6-5-10(8-11(12)15(18,19)20)21-14(22)7-9-3-1-2-4-13(9)17/h1-6,8H,7H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0831 kcal/mol

Physical Properties
Molecular Weight: 331.696 g/mol	logS: -5.50216	SlogP: 4.99057	Reactive groups: 0

Topological Properties
Globularity: 0.0764978	Sterimol/B1: 2.99054	Sterimol/B2: 3.73995	Sterimol/B3: 4.56022
Sterimol/B4: 4.6974	Sterimol/L: 15.5289

Surface and Volume Properties
Accessible surface: 513.438	Positive charged surface: 206.506	Negative charged surface: 306.932	Volume: 261.625
Hydrophobic surface: 383.527	Hydrophilic surface: 129.911

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.