MMsINC Database Search


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MMsINC code: MMs01365176

Type: Neutral
Formula: C₁₅H₁₈F₃NO

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)N1CC(CC(C1)C)C

InChI:

InChI=1/C15H18F3NO/c1-10-7-11(2)9-19(8-10)14(20)12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0316 kcal/mol

Physical Properties
Molecular Weight: 285.309 g/mol	logS: -3.63926	SlogP: 4.135	Reactive groups: 0

Topological Properties
Globularity: 0.132208	Sterimol/B1: 1.969	Sterimol/B2: 2.96272	Sterimol/B3: 4.20959
Sterimol/B4: 7.15535	Sterimol/L: 13.5221

Surface and Volume Properties
Accessible surface: 486.486	Positive charged surface: 263.106	Negative charged surface: 223.38	Volume: 260.25
Hydrophobic surface: 313.786	Hydrophilic surface: 172.7

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.