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ENAMINE-ZINC03256459

 MMsINC code: MMs01333774
Type: Neutral
Formula: C10H19N3O4
SMILES:   O(C(=O)CNC(=O)C(NC(=O)N)C(CC)C)C
InChI:   InChI=1/C10H19N3O4/c1-4-6(2)8(13-10(11)16)9(15)12-5-7(14)17-3/h6,8H,4-5H2,1-3H3,(H,12,15)(H3,11,13,16)/t6-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=18.5372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.279 g/mol  logS: -1.53703  SlogP: -0.6414  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0914854  Sterimol/B1: 2.12153  Sterimol/B2: 2.793  Sterimol/B3: 4.06426
  Sterimol/B4: 8.35301  Sterimol/L: 14.0875 
 
 Surface and Volume Properties
  Accessible surface: 490.091  Positive charged surface: 353.404  Negative charged surface: 136.687  Volume: 234.75
  Hydrophobic surface: 258.981  Hydrophilic surface: 231.11
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.