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CHEMBLOCK-ZINC00083215

 MMsINC code: MMs00495022
Type: Ionized
Formula: C11H27N4+
SMILES:   [NH+]1(CCN(CCNCCN(CC1)C)C)C
InChI:   InChI=1/C11H26N4/c1-13-6-4-12-5-7-14(2)9-11-15(3)10-8-13/h12H,4-11H2,1-3H3/p+1

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Potential Energy
Epot(MMFF94)=94.8454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.365 g/mol  logS: 0.8244  SlogP: -2.0321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.312877  Sterimol/B1: 2.08823  Sterimol/B2: 3.25457  Sterimol/B3: 4.88037
  Sterimol/B4: 6.43687  Sterimol/L: 10.8216 
 
 Surface and Volume Properties
  Accessible surface: 429.206  Positive charged surface: 416.555  Negative charged surface: 12.6507  Volume: 250.375
  Hydrophobic surface: 357.734  Hydrophilic surface: 71.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs00495020
CHEMBLOCK-ZINC00083215