MMsINC Database Search


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MMsINC code: MMs03233884

Type: Ionized
Formula: C₁₀H₁₆F₄N₃O₂+

SMILES:

FC(F)C(=O)N1CC[NH+](CC1)CCNC(=O)C(F)F

InChI:

InChI=1/C10H15F4N3O2/c11-7(12)9(18)15-1-2-16-3-5-17(6-4-16)10(19)8(13)14/h7-8H,1-6H2,(H,15,18)/p+1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4322 kcal/mol

Physical Properties
Molecular Weight: 286.249 g/mol	logS: -0.90825	SlogP: -0.8003	Reactive groups: 0

Topological Properties
Globularity: 0.0726931	Sterimol/B1: 2.47035	Sterimol/B2: 2.6386	Sterimol/B3: 3.97706
Sterimol/B4: 5.35365	Sterimol/L: 15.2586

Surface and Volume Properties
Accessible surface: 480.648	Positive charged surface: 296.056	Negative charged surface: 184.592	Volume: 233.75
Hydrophobic surface: 214.498	Hydrophilic surface: 266.15

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 1
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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Parent related molecule:

MMs03233883
PUBCHEM-ZINC05290226