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PUBCHEM-ZINC05133262

 MMsINC code: MMs03208175
Type: Neutral
Formula: C12H20N6O4
SMILES:   O=C1NC(=O)N(C1)CCNCCNCCN1CC(=O)NC1=O
InChI:   InChI=1/C12H20N6O4/c19-9-7-17(11(21)15-9)5-3-13-1-2-14-4-6-18-8-10(20)16-12(18)22/h13-14H,1-8H2,(H,15,19,21)(H,16,20,22)

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Potential Energy
Epot(MMFF94)=-6.42399 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.33 g/mol  logS: -0.01232  SlogP: -2.7308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0280859  Sterimol/B1: 2.16946  Sterimol/B2: 3.08418  Sterimol/B3: 3.48077
  Sterimol/B4: 5.15227  Sterimol/L: 20.4351 
 
 Surface and Volume Properties
  Accessible surface: 583.883  Positive charged surface: 428.945  Negative charged surface: 154.938  Volume: 281.25
  Hydrophobic surface: 263.476  Hydrophilic surface: 320.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03208176
PUBCHEM-ZINC05133262