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NCID-ZINC05566914

 MMsINC code: MMs02475755
Type: Neutral
Formula: C14H30N4
SMILES:   N(CCNC1CCCCC1N)C1CCCCC1N
InChI:   InChI=1/C14H30N4/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h11-14,17-18H,1-10,15-16H2/t11-,12+,13+,14-

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Potential Energy
Epot(MMFF94)=40.8131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.422 g/mol  logS: -0.41898  SlogP: 0.7054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468066  Sterimol/B1: 3.29496  Sterimol/B2: 3.40288  Sterimol/B3: 3.4208
  Sterimol/B4: 4.39561  Sterimol/L: 16.7126 
 
 Surface and Volume Properties
  Accessible surface: 537.463  Positive charged surface: 451.112  Negative charged surface: 86.35  Volume: 284.625
  Hydrophobic surface: 421.976  Hydrophilic surface: 115.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02475757
NCID-ZINC05566914


MMs02475756
NCID-ZINC05566914