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ENAMINE-ZINC03350595

 MMsINC code: MMs01389315
Type: Neutral
Formula: C13H22N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C13H22N4O4/c1-8(2)5-6-13(3)10(19)17(12(21)16-13)7-9(18)15-11(20)14-4/h8H,5-7H2,1-4H3,(H,16,21)(H2,14,15,18,20)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=5.32023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.343 g/mol  logS: -2.83744  SlogP: 0.1887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.053234  Sterimol/B1: 3.40387  Sterimol/B2: 3.93164  Sterimol/B3: 4.04037
  Sterimol/B4: 6.6697  Sterimol/L: 16.9232 
 
 Surface and Volume Properties
  Accessible surface: 553.413  Positive charged surface: 394.66  Negative charged surface: 158.754  Volume: 281.5
  Hydrophobic surface: 298.963  Hydrophilic surface: 254.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.