MMsINC Database Search


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MMsINC code: MMs01389437

Type: Neutral
Formula: C₁₄H₁₅F₃N₂O₂

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)C

InChI:

InChI=1/C14H15F3N2O2/c1-10(20)18-6-8-19(9-7-18)13(21)11-2-4-12(5-3-11)14(15,16)17/h2-5H,6-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8934 kcal/mol

Physical Properties
Molecular Weight: 300.28 g/mol	logS: -2.70435	SlogP: 2.3212	Reactive groups: 0

Topological Properties
Globularity: 0.0673685	Sterimol/B1: 2.83238	Sterimol/B2: 3.6091	Sterimol/B3: 3.60937
Sterimol/B4: 5.15116	Sterimol/L: 15.4788

Surface and Volume Properties
Accessible surface: 484.701	Positive charged surface: 255.811	Negative charged surface: 228.89	Volume: 254.875
Hydrophobic surface: 311.767	Hydrophilic surface: 172.934

Pharmacophoric Properties
Hydrogen bond donors: 0	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.