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ANALYTICONDISCOVERY-ZINC04270744

 MMsINC code: MMs00035102
Type: Neutral
Formula: C10H19N3O3
SMILES:   O(C(=O)C1NCCN(C1)C(=O)NC(C)C)C
InChI:   InChI=1/C10H19N3O3/c1-7(2)12-10(15)13-5-4-11-8(6-13)9(14)16-3/h7-8,11H,4-6H2,1-3H3,(H,12,15)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=35.3067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.28 g/mol  logS: -0.47671  SlogP: -0.4488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819826  Sterimol/B1: 2.40333  Sterimol/B2: 3.47539  Sterimol/B3: 4.03666
  Sterimol/B4: 7.07669  Sterimol/L: 13.1178 
 
 Surface and Volume Properties
  Accessible surface: 469.257  Positive charged surface: 373.114  Negative charged surface: 96.1424  Volume: 224.75
  Hydrophobic surface: 336.031  Hydrophilic surface: 133.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.