MMsINC Database Search


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MMsINC code: MMs02876367

Type: Neutral
Formula: C₁₄H₉Cl₂F₃N₂O

SMILES:

Clc1ccc(Cl)cc1NC(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C14H9Cl2F3N2O/c15-9-4-5-11(16)12(7-9)21-13(22)20-10-3-1-2-8(6-10)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)=69.9208 kcal/mol

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

Topological Properties
Globularity: 0.0572822	Sterimol/B1: 3.03751	Sterimol/B2: 3.23902	Sterimol/B3: 4.51023
Sterimol/B4: 6.09608	Sterimol/L: 14.4625

Surface and Volume Properties
Accessible surface: 524.674	Positive charged surface: 176.791	Negative charged surface: 347.884	Volume: 268.25
Hydrophobic surface: 372.437	Hydrophilic surface: 152.237

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.