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NCID-ZINC01692901

 MMsINC code: MMs02324506
Type: Neutral
Formula: C10H13N3O4
SMILES:   O1CCN(CC1)C(=O)CN1C=CC(=O)NC1=O
InChI:   InChI=1/C10H13N3O4/c14-8-1-2-13(10(16)11-8)7-9(15)12-3-5-17-6-4-12/h1-2H,3-7H2,(H,11,14,16)

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Potential Energy
Epot(MMFF94)=28.1504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.231 g/mol  logS: -0.66512  SlogP: -1.0893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128517  Sterimol/B1: 2.61611  Sterimol/B2: 3.5949  Sterimol/B3: 3.77804
  Sterimol/B4: 4.91323  Sterimol/L: 13.5105 
 
 Surface and Volume Properties
  Accessible surface: 425.151  Positive charged surface: 296.369  Negative charged surface: 128.782  Volume: 208.625
  Hydrophobic surface: 264.52  Hydrophilic surface: 160.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.