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PUBCHEM-ZINC03928370

 MMsINC code: MMs03084752
Type: Neutral
Formula: C10H15N3O3
SMILES:   O=C1NC(CCC(=O)N2C1CCC2)C(=O)N
InChI:   InChI=1/C10H15N3O3/c11-9(15)6-3-4-8(14)13-5-1-2-7(13)10(16)12-6/h6-7H,1-5H2,(H2,11,15)(H,12,16)/t6-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=73.1227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.248 g/mol  logS: -0.89316  SlogP: -1.2587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.373406  Sterimol/B1: 2.88724  Sterimol/B2: 3.42708  Sterimol/B3: 5.1139
  Sterimol/B4: 5.53108  Sterimol/L: 10.3583 
 
 Surface and Volume Properties
  Accessible surface: 397.66  Positive charged surface: 262.883  Negative charged surface: 134.777  Volume: 201
  Hydrophobic surface: 214.217  Hydrophilic surface: 183.443
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.