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NCID-ZINC01719088

 MMsINC code: MMs02344299
Type: Neutral
Formula: C10H17N3O4
SMILES:   OC(=O)CNC(=O)C1(NC(=O)CN)CCCC1
InChI:   InChI=1/C10H17N3O4/c11-5-7(14)13-10(3-1-2-4-10)9(17)12-6-8(15)16/h1-6,11H2,(H,12,17)(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=66.3179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.263 g/mol  logS: -0.5788  SlogP: -1.4251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159821  Sterimol/B1: 3.05876  Sterimol/B2: 3.84985  Sterimol/B3: 4.16688
  Sterimol/B4: 6.2069  Sterimol/L: 12.603 
 
 Surface and Volume Properties
  Accessible surface: 455.097  Positive charged surface: 326.281  Negative charged surface: 128.817  Volume: 222.125
  Hydrophobic surface: 235.816  Hydrophilic surface: 219.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.