MMsINC Database Search


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MMsINC code: MMs02769693

Type: Neutral
Formula: C₁₄H₈Cl₃F₃N₂O

SMILES:

Clc1cc(Cl)cc(Cl)c1NC(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C14H8Cl3F3N2O/c15-8-5-10(16)12(11(17)6-8)22-13(23)21-9-3-1-2-7(4-9)14(18,19)20/h1-6H,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8257 kcal/mol

Physical Properties
Molecular Weight: 383.584 g/mol	logS: -6.51147	SlogP: 6.6211	Reactive groups: 0

Topological Properties
Globularity: 0.0595409	Sterimol/B1: 2.43698	Sterimol/B2: 2.64419	Sterimol/B3: 5.17959
Sterimol/B4: 6.076	Sterimol/L: 16.9402

Surface and Volume Properties
Accessible surface: 543.75	Positive charged surface: 160.595	Negative charged surface: 383.155	Volume: 283.75
Hydrophobic surface: 395.383	Hydrophilic surface: 148.367

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.