MMsINC Database Search


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MMsINC code: MMs00702340

Type: Neutral
Formula: C₁₁H₉ClF₆N₂O

SMILES:

Clc1ccccc1NC(=O)NC(C(F)(F)F)(C(F)(F)F)C

InChI:

InChI=1/C11H9ClF6N2O/c1-9(10(13,14)15,11(16,17)18)20-8(21)19-7-5-3-2-4-6(7)12/h2-5H,1H3,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.3911 kcal/mol

Physical Properties
Molecular Weight: 334.647 g/mol	logS: -4.65567	SlogP: 5.1846	Reactive groups: 0

Topological Properties
Globularity: 0.0801107	Sterimol/B1: 2.55852	Sterimol/B2: 2.67709	Sterimol/B3: 4.4394
Sterimol/B4: 6.37324	Sterimol/L: 13.6585

Surface and Volume Properties
Accessible surface: 464.934	Positive charged surface: 156.427	Negative charged surface: 308.506	Volume: 236
Hydrophobic surface: 252.767	Hydrophilic surface: 212.167

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.