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NCID-ZINC05566915

 MMsINC code: MMs02475760
Type: Ionized
Formula: C14H33N4+3
SMILES:   [NH2+](CCNC1CCCCC1[NH3+])C1CCCCC1[NH3+]
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/p+3/t11-,12-,13-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=81.2092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.446 g/mol  logS: -0.34581  SlogP: -1.7544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438439  Sterimol/B1: 3.18884  Sterimol/B2: 3.23912  Sterimol/B3: 3.48983
  Sterimol/B4: 5.17953  Sterimol/L: 16.8678 
 
 Surface and Volume Properties
  Accessible surface: 546.409  Positive charged surface: 495.967  Negative charged surface: 50.4421  Volume: 291.875
  Hydrophobic surface: 401.02  Hydrophilic surface: 145.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 3
  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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Parent related molecule:


MMs02475758
NCID-ZINC05566915