MMsINC Database Search


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MMsINC code: MMs01669039

Type: Neutral
Formula: C₁₄H₁₇F₃N₂O₂

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)NC(C(=O)NCCC)C

InChI:

InChI=1/C14H17F3N2O2/c1-3-8-18-12(20)9(2)19-13(21)10-4-6-11(7-5-10)14(15,16)17/h4-7,9H,3,8H2,1-2H3,(H,18,20)(H,19,21)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.58 kcal/mol

Physical Properties
Molecular Weight: 302.296 g/mol	logS: -3.61632	SlogP: 2.6614	Reactive groups: 0

Topological Properties
Globularity: 0.030365	Sterimol/B1: 2.54222	Sterimol/B2: 2.90393	Sterimol/B3: 3.87567
Sterimol/B4: 5.4765	Sterimol/L: 18.2253

Surface and Volume Properties
Accessible surface: 544.332	Positive charged surface: 286.74	Negative charged surface: 257.592	Volume: 271.375
Hydrophobic surface: 320.637	Hydrophilic surface: 223.695

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.