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NCID-ZINC01604447

 MMsINC code: MMs02256929
Type: Neutral
Formula: C5H10N2O3
SMILES:   OC(=O)C(NC)CC(=O)N
InChI:   InChI=1/C5H10N2O3/c1-7-3(5(9)10)2-4(6)8/h3,7H,2H2,1H3,(H2,6,8)(H,9,10)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=18.497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: 0.4862  SlogP: -1.4656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116672  Sterimol/B1: 2.3363  Sterimol/B2: 2.66685  Sterimol/B3: 2.90513
  Sterimol/B4: 6.26922  Sterimol/L: 9.43727 
 
 Surface and Volume Properties
  Accessible surface: 322.547  Positive charged surface: 242.042  Negative charged surface: 80.5047  Volume: 132.25
  Hydrophobic surface: 117.164  Hydrophilic surface: 205.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.