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NCID-ZINC04978005

 MMsINC code: MMs02423366
Type: Neutral
Formula: C10H24N4
SMILES:   N(CCCN)C\C=C/CNCCCN
InChI:   InChI=1/C10H24N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-2,13-14H,3-12H2/b2-1-

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Potential Energy
Epot(MMFF94)=3.46353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.33 g/mol  logS: 0.5835  SlogP: -0.5806  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0321162  Sterimol/B1: 3.1102  Sterimol/B2: 3.24774  Sterimol/B3: 3.62227
  Sterimol/B4: 4.84093  Sterimol/L: 17.8781 
 
 Surface and Volume Properties
  Accessible surface: 511.705  Positive charged surface: 436.584  Negative charged surface: 75.1209  Volume: 231.625
  Hydrophobic surface: 302.689  Hydrophilic surface: 209.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02423367
NCID-ZINC04978005