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MMsINC code: MMs01310611

Type: Neutral
Formula: C₁₀H₁₉F₃N₂O₃S

SMILES:

S(OCC(F)(F)F)(=O)(=O)CCN1CCN(CC1)CC

InChI:

InChI=1/C10H19F3N2O3S/c1-2-14-3-5-15(6-4-14)7-8-19(16,17)18-9-10(11,12)13/h2-9H2,1H3


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0653 kcal/mol

Physical Properties
Molecular Weight: 304.333 g/mol	logS: -1.31109	SlogP: 0.9525	Reactive groups: 1

Topological Properties
Globularity: 0.0664896	Sterimol/B1: 2.75353	Sterimol/B2: 3.65929	Sterimol/B3: 3.88826
Sterimol/B4: 5.46746	Sterimol/L: 15.9988

Surface and Volume Properties
Accessible surface: 510.528	Positive charged surface: 303.815	Negative charged surface: 206.713	Volume: 249.75
Hydrophobic surface: 296.469	Hydrophilic surface: 214.059

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

MMs01310613
ENAMINE-ZINC03216803