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ENAMINE-ZINC06593711

 MMsINC code: MMs01682269
Type: Neutral
Formula: C14H14F2N2O4S
SMILES:   S1\C(=C/c2cc(OC)c(OC(F)F)cc2)\C(=O)N(CCN)C1=O
InChI:   InChI=1/C14H14F2N2O4S/c1-21-10-6-8(2-3-9(10)22-13(15)16)7-11-12(19)18(5-4-17)14(20)23-11/h2-3,6-7,13H,4-5,17H2,1H3/b11-7-

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Potential Energy
Epot(MMFF94)=81.1223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.338 g/mol  logS: -2.86066  SlogP: 2.7115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258681  Sterimol/B1: 2.04029  Sterimol/B2: 2.65763  Sterimol/B3: 3.26211
  Sterimol/B4: 7.61338  Sterimol/L: 16.6992 
 
 Surface and Volume Properties
  Accessible surface: 553.802  Positive charged surface: 333.407  Negative charged surface: 220.395  Volume: 281.375
  Hydrophobic surface: 285.09  Hydrophilic surface: 268.712
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.