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NCID-ZINC05566965

 MMsINC code: MMs02475806
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+/m0/s1

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Potential Energy
Epot(MMFF94)=35.2319 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: 0.0649219  Sterimol/B1: 3.24183  Sterimol/B2: 3.65962  Sterimol/B3: 4.07924
  Sterimol/B4: 4.25684  Sterimol/L: 16.6163 
 
 Surface and Volume Properties
  Accessible surface: 535.151  Positive charged surface: 458.865  Negative charged surface: 76.2865  Volume: 282.625
  Hydrophobic surface: 421.689  Hydrophilic surface: 113.462
 
 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


MMs02475808
NCID-ZINC05566965


MMs02475807
NCID-ZINC05566965