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PUBCHEM-ZINC06072407

 MMsINC code: MMs03525244
Type: Neutral
Formula: C15H18N4O6
SMILES:   O=C1N(CCCN2C(=O)C=CN(C)C2=O)C(=O)N(C=C1)CC(OC)=O
InChI:   InChI=1/C15H18N4O6/c1-16-8-4-11(20)18(14(16)23)6-3-7-19-12(21)5-9-17(15(19)24)10-13(22)25-2/h4-5,8-9H,3,6-7,10H2,1-2H3

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Potential Energy
Epot(MMFF94)=2.59152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.331 g/mol  logS: -1.42154  SlogP: -0.2649  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0591283  Sterimol/B1: 3.1303  Sterimol/B2: 4.28156  Sterimol/B3: 4.3644
  Sterimol/B4: 5.71054  Sterimol/L: 18.2174 
 
 Surface and Volume Properties
  Accessible surface: 592.403  Positive charged surface: 402.973  Negative charged surface: 189.43  Volume: 307.75
  Hydrophobic surface: 421.109  Hydrophilic surface: 171.294
 
 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: no related molecules available.