MMsINC Database Search


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MMsINC code: MMs02789727

Type: Neutral
Formula: C₁₄H₈Cl₂F₃NO₂

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1ccc(OC(F)(F)F)cc1

InChI:

InChI=1/C14H8Cl2F3NO2/c15-8-1-6-11(12(16)7-8)13(21)20-9-2-4-10(5-3-9)22-14(17,18)19/h1-7H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3631 kcal/mol

Physical Properties
Molecular Weight: 350.123 g/mol	logS: -6.01278	SlogP: 5.5642	Reactive groups: 0

Topological Properties
Globularity: 0.0176007	Sterimol/B1: 2.13762	Sterimol/B2: 3.57839	Sterimol/B3: 3.71502
Sterimol/B4: 4.95905	Sterimol/L: 17.8987

Surface and Volume Properties
Accessible surface: 516.405	Positive charged surface: 165.28	Negative charged surface: 351.126	Volume: 263.375
Hydrophobic surface: 371.138	Hydrophilic surface: 145.267

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

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Ions/Tautomers related molecules: no related molecules available.