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PUBCHEM-ZINC05133632

 MMsINC code: MMs03208548
Type: Neutral
Formula: C18H32N6O4
SMILES:   O=C(NC1CCCCC1)N(N=O)CCCCN(N=O)C(=O)NC1CCCCC1
InChI:   InChI=1/C18H32N6O4/c25-17(19-15-9-3-1-4-10-15)23(21-27)13-7-8-14-24(22-28)18(26)20-16-11-5-2-6-12-16/h15-16H,1-14H2,(H,19,25)(H,20,26)

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Potential Energy
Epot(MMFF94)=30.3566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.492 g/mol  logS: -3.83064  SlogP: 3.818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0613804  Sterimol/B1: 2.8021  Sterimol/B2: 3.63515  Sterimol/B3: 4.81469
  Sterimol/B4: 8.40846  Sterimol/L: 17.4829 
 
 Surface and Volume Properties
  Accessible surface: 699.119  Positive charged surface: 469.368  Negative charged surface: 229.752  Volume: 379.75
  Hydrophobic surface: 633.496  Hydrophilic surface: 65.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.