MMsINC Database Search


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MMsINC code: MMs02145177

Type: Neutral
Formula: C₁₄H₈ClF₃N₂O₂

SMILES:

Clc1cc(ccc1F)C(=O)NC(=O)Nc1ccc(F)cc1F

InChI:

InChI=1/C14H8ClF3N2O2/c15-9-5-7(1-3-10(9)17)13(21)20-14(22)19-12-4-2-8(16)6-11(12)18/h1-6H,(H2,19,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0262 kcal/mol

Physical Properties
Molecular Weight: 328.677 g/mol	logS: -5.20263	SlogP: 3.7192	Reactive groups: 0

Topological Properties
Globularity: 0.00971161	Sterimol/B1: 2.25606	Sterimol/B2: 2.50908	Sterimol/B3: 2.91252
Sterimol/B4: 6.32476	Sterimol/L: 16.9339

Surface and Volume Properties
Accessible surface: 502.523	Positive charged surface: 202.103	Negative charged surface: 300.42	Volume: 254.25
Hydrophobic surface: 418.193	Hydrophilic surface: 84.33

Pharmacophoric Properties
Hydrogen bond donors: 2	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.