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NCID-ZINC01665039

 MMsINC code: MMs02301224
Type: Neutral
Formula: C14H26N4O
SMILES:   O=C(NC1CCCCC1)NC(NC1CCCCC1)=N
InChI:   InChI=1/C14H26N4O/c15-13(16-11-7-3-1-4-8-11)18-14(19)17-12-9-5-2-6-10-12/h11-12H,1-10H2,(H4,15,16,17,18,19)

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Potential Energy
Epot(MMFF94)=-35.7015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.389 g/mol  logS: -2.9759  SlogP: 2.47537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058038  Sterimol/B1: 2.60405  Sterimol/B2: 3.15904  Sterimol/B3: 4.11415
  Sterimol/B4: 5.90378  Sterimol/L: 16.1287 
 
 Surface and Volume Properties
  Accessible surface: 536.599  Positive charged surface: 435.655  Negative charged surface: 100.944  Volume: 275.5
  Hydrophobic surface: 422.956  Hydrophilic surface: 113.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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: no related molecules available.