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MMsINC code: MMs01303464

Type: Neutral
Formula: C₁₀H₁₈F₄N₂O₃S

SMILES:

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

InChI:

InChI=1/C10H18F4N2O3S/c1-15-2-4-16(5-3-15)6-7-20(17,18)19-8-10(13,14)9(11)12/h9H,2-8H2,1H3


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.6189 kcal/mol

Physical Properties
Molecular Weight: 322.323 g/mol	logS: -1.13234	SlogP: 1.3204	Reactive groups: 1

Topological Properties
Globularity: 0.0648262	Sterimol/B1: 2.91313	Sterimol/B2: 3.16688	Sterimol/B3: 4.10154
Sterimol/B4: 5.72683	Sterimol/L: 15.3252

Surface and Volume Properties
Accessible surface: 507.32	Positive charged surface: 307.612	Negative charged surface: 199.708	Volume: 251.375
Hydrophobic surface: 294.405	Hydrophilic surface: 212.915

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

MMs01303466
ENAMINE-ZINC03198280