MMsINC Database Search


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MMsINC code: MMs00593546

Type: Neutral
Formula: C₁₄H₉Cl₂F₃N₂O

SMILES:

Clc1cc(Cl)ccc1NC(=O)Nc1ccccc1C(F)(F)F

InChI:

InChI=1/C14H9Cl2F3N2O/c15-8-5-6-12(10(16)7-8)21-13(22)20-11-4-2-1-3-9(11)14(17,18)19/h1-7H,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1847 kcal/mol

Physical Properties
Molecular Weight: 349.139 g/mol	logS: -5.77718	SlogP: 5.9677	Reactive groups: 0

Topological Properties
Globularity: 0.0454717	Sterimol/B1: 3.0177	Sterimol/B2: 3.37095	Sterimol/B3: 3.52692
Sterimol/B4: 6.11932	Sterimol/L: 15.6291

Surface and Volume Properties
Accessible surface: 521.027	Positive charged surface: 173.228	Negative charged surface: 347.799	Volume: 267.875
Hydrophobic surface: 390.671	Hydrophilic surface: 130.356

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.