MMsINC Database Search


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MMsINC code: MMs01631874

Type: Neutral
Formula: C₁₅H₁₂F₃NO

SMILES:

Fc1c(F)c(F)ccc1NC(=O)CCc1ccccc1

InChI:

InChI=1/C15H12F3NO/c16-11-7-8-12(15(18)14(11)17)19-13(20)9-6-10-4-2-1-3-5-10/h1-5,7-8H,6,9H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8643 kcal/mol

Physical Properties
Molecular Weight: 279.261 g/mol	logS: -4.1832	SlogP: 3.67517	Reactive groups: 0

Topological Properties
Globularity: 0.044169	Sterimol/B1: 2.91995	Sterimol/B2: 3.44177	Sterimol/B3: 3.65337
Sterimol/B4: 4.03392	Sterimol/L: 16.7136

Surface and Volume Properties
Accessible surface: 494.956	Positive charged surface: 252.243	Negative charged surface: 242.714	Volume: 244.875
Hydrophobic surface: 453.637	Hydrophilic surface: 41.319

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.