MMsINC Database Search


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MMsINC code: MMs00048870

Type: Neutral
Formula: C₁₅H₁₂F₃NO

SMILES:

FC(F)(F)c1cc(NC(=O)Cc2ccccc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1954 kcal/mol

Physical Properties
Molecular Weight: 279.261 g/mol	logS: -4.47289	SlogP: 4.19807	Reactive groups: 0

Topological Properties
Globularity: 0.0731001	Sterimol/B1: 3.25748	Sterimol/B2: 3.97713	Sterimol/B3: 4.26351
Sterimol/B4: 4.33382	Sterimol/L: 15.5164

Surface and Volume Properties
Accessible surface: 493.62	Positive charged surface: 230.711	Negative charged surface: 262.909	Volume: 244.875
Hydrophobic surface: 351.486	Hydrophilic surface: 142.134

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.