MMsINC Database Search


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MMsINC code: MMs02923709

Type: Neutral
Formula: C₁₀H₈ClF₄NO

SMILES:

ClC(F)(C(=O)Nc1ccc(cc1)C)C(F)(F)F

InChI:

InChI=1/C10H8ClF4NO/c1-6-2-4-7(5-3-6)16-8(17)9(11,12)10(13,14)15/h2-5H,1H3,(H,16,17)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3953 kcal/mol

Physical Properties
Molecular Weight: 269.625 g/mol	logS: -4.28881	SlogP: 4.24022	Reactive groups: 1

Topological Properties
Globularity: 0.0440625	Sterimol/B1: 3.15029	Sterimol/B2: 3.19799	Sterimol/B3: 3.39245
Sterimol/B4: 4.48403	Sterimol/L: 13.6041

Surface and Volume Properties
Accessible surface: 431.95	Positive charged surface: 146.968	Negative charged surface: 284.982	Volume: 202
Hydrophobic surface: 222.404	Hydrophilic surface: 209.546

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.