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ENAMINE-ZINC02653278

 MMsINC code: MMs01276881
Type: Neutral
Formula: C15H15ClN4O4
SMILES:   Clc1n(nc(C)c1C(OC(C(=O)NC(=O)N)C)=O)-c1ccccc1
InChI:   InChI=1/C15H15ClN4O4/c1-8-11(14(22)24-9(2)13(21)18-15(17)23)12(16)20(19-8)10-6-4-3-5-7-10/h3-7,9H,1-2H3,(H3,17,18,21,23)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=66.1757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.762 g/mol  logS: -4.11376  SlogP: 1.57432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0257086  Sterimol/B1: 2.26309  Sterimol/B2: 2.49225  Sterimol/B3: 4.31147
  Sterimol/B4: 8.33859  Sterimol/L: 17.7697 
 
 Surface and Volume Properties
  Accessible surface: 586.394  Positive charged surface: 299.623  Negative charged surface: 286.77  Volume: 302.125
  Hydrophobic surface: 368.686  Hydrophilic surface: 217.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.