MMsINC Database Search


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MMsINC code: MMs01636737

Type: Neutral
Formula: C₁₆H₂₁F₂N₃O₄

SMILES:

FC(F)Oc1ccc(cc1)C(=O)NCC(=O)N(CC(=O)NCCC)C

InChI:

InChI=1/C16H21F2N3O4/c1-3-8-19-13(22)10-21(2)14(23)9-20-15(24)11-4-6-12(7-5-11)25-16(17)18/h4-7,16H,3,8-10H2,1-2H3,(H,19,22)(H,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8597 kcal/mol

Physical Properties
Molecular Weight: 357.357 g/mol	logS: -2.43339	SlogP: 1.4223	Reactive groups: 0

Topological Properties
Globularity: 0.03234	Sterimol/B1: 2.27034	Sterimol/B2: 2.63132	Sterimol/B3: 4.42824
Sterimol/B4: 8.08359	Sterimol/L: 19.4567

Surface and Volume Properties
Accessible surface: 632.732	Positive charged surface: 408.873	Negative charged surface: 223.859	Volume: 319.5
Hydrophobic surface: 402.657	Hydrophilic surface: 230.075

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.