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NCID-ZINC05185533

 MMsINC code: MMs02446878
Type: Neutral
Formula: C10H15N3
SMILES:   [N+](=NC12CC3CC(C1)CC(C2)C3)=[N-]
InChI:   InChI=1/C10H15N3/c11-13-12-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2/t7-,8+,9-,10-

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Potential Energy
Epot(MMFF94)=40.408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.251 g/mol  logS: -2.58314  SlogP: 3.2655  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.572491  Sterimol/B1: 2.60271  Sterimol/B2: 3.62393  Sterimol/B3: 3.6246
  Sterimol/B4: 5.10669  Sterimol/L: 10.4462 
 
 Surface and Volume Properties
  Accessible surface: 347.366  Positive charged surface: 235.679  Negative charged surface: 111.686  Volume: 172.875
  Hydrophobic surface: 269.355  Hydrophilic surface: 78.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.