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ENAMINE-ZINC03532036

 MMsINC code: MMs01494246
Type: Neutral
Formula: C12H18N4O4
SMILES:   O=C1N(CC(=O)NC(=O)N)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C12H18N4O4/c13-11(19)14-8(17)6-16-10(18)9(15-12(16)20)7-4-2-1-3-5-7/h7,9H,1-6H2,(H,15,20)(H3,13,14,17,19)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.3 g/mol  logS: -2.71595  SlogP: -0.318  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0923799  Sterimol/B1: 2.63979  Sterimol/B2: 3.36638  Sterimol/B3: 3.93003
  Sterimol/B4: 5.9508  Sterimol/L: 14.542 
 
 Surface and Volume Properties
  Accessible surface: 491.256  Positive charged surface: 346.742  Negative charged surface: 144.515  Volume: 248.25
  Hydrophobic surface: 233.344  Hydrophilic surface: 257.912
 
 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.