MMsINC Database Search


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MMsINC code: MMs02330405

Type: Ionized
Formula: C₇H₁₀F₇NO

SMILES:

FC(F)(C([O-])C([NH3+])CC)C(F)(F)C(F)(F)F

InChI:

InChI=1/C7H9F7NO/c1-2-3(15)4(16)5(8,9)6(10,11)7(12,13)14/h3-4H,2,15H2,1H3/q-1/p+1/t3-,4-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.8576 kcal/mol

Physical Properties
Molecular Weight: 257.149 g/mol	logS: -2.14514	SlogP: 2.8986	Reactive groups: 0

Topological Properties
Globularity: 0.0913914	Sterimol/B1: 2.78149	Sterimol/B2: 3.25163	Sterimol/B3: 3.40322
Sterimol/B4: 4.1817	Sterimol/L: 12.6802

Surface and Volume Properties
Accessible surface: 377.111	Positive charged surface: 153.983	Negative charged surface: 223.128	Volume: 173.375
Hydrophobic surface: 112.975	Hydrophilic surface: 264.136

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

MMs02330404
NCID-ZINC01700669