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ENAMINE-ZINC03160447

 MMsINC code: MMs01291655
Type: Neutral
Formula: C10H13F3NO3P
SMILES:   P(Oc1c(cccc1C)C)(OCC(F)(F)F)(=O)N
InChI:   InChI=1/C10H13F3NO3P/c1-7-4-3-5-8(2)9(7)17-18(14,15)16-6-10(11,12)13/h3-5H,6H2,1-2H3,(H2,14,15)/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=33.8398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.186 g/mol  logS: -2.80331  SlogP: 2.67764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0666714  Sterimol/B1: 2.3513  Sterimol/B2: 2.77392  Sterimol/B3: 3.52982
  Sterimol/B4: 7.16954  Sterimol/L: 13.9674 
 
 Surface and Volume Properties
  Accessible surface: 459.497  Positive charged surface: 214.509  Negative charged surface: 244.988  Volume: 222.5
  Hydrophobic surface: 275.145  Hydrophilic surface: 184.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.