MMsINC Database Search


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MMsINC code: MMs01687313

Type: Neutral
Formula: C₁₄H₉ClF₃NO₂

SMILES:

Clc1cccc(F)c1C(=O)Nc1ccccc1OC(F)F

InChI:

InChI=1/C14H9ClF3NO2/c15-8-4-3-5-9(16)12(8)13(20)19-10-6-1-2-7-11(10)21-14(17)18/h1-7,14H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.032 kcal/mol

Physical Properties
Molecular Weight: 315.678 g/mol	logS: -4.51839	SlogP: 4.7527	Reactive groups: 0

Topological Properties
Globularity: 0.0691562	Sterimol/B1: 2.5156	Sterimol/B2: 3.51694	Sterimol/B3: 3.98385
Sterimol/B4: 7.35827	Sterimol/L: 13.9848

Surface and Volume Properties
Accessible surface: 491.308	Positive charged surface: 208.489	Negative charged surface: 282.818	Volume: 249.625
Hydrophobic surface: 378.603	Hydrophilic surface: 112.705

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.