MMsINC Database Search


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MMsINC code: MMs00184672

Type: Neutral
Formula: C₁₄H₈ClF₅N₂O

SMILES:

Clc1cc(F)c(F)cc1NC(=O)Nc1ccccc1C(F)(F)F

InChI:

InChI=1/C14H8ClF5N2O/c15-8-5-9(16)10(17)6-12(8)22-13(23)21-11-4-2-1-3-7(11)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)=68.3208 kcal/mol

Physical Properties
Molecular Weight: 350.674 g/mol	logS: -5.63285	SlogP: 5.5925	Reactive groups: 0

Topological Properties
Globularity: 0.0470056	Sterimol/B1: 3.01324	Sterimol/B2: 3.33422	Sterimol/B3: 3.56155
Sterimol/B4: 6.12061	Sterimol/L: 14.7347

Surface and Volume Properties
Accessible surface: 505.663	Positive charged surface: 174.468	Negative charged surface: 331.195	Volume: 257.75
Hydrophobic surface: 375.101	Hydrophilic surface: 130.562

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.