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NCID-ZINC05566587

 MMsINC code: MMs02475513
Type: Neutral
Formula: C10H15N3
SMILES:   [N+](=NC1C2CC3CC1CC(C2)C3)=[N-]
InChI:   InChI=1/C10H15N3/c11-13-12-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2/t6-,7+,8-,9+,10-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.5521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.251 g/mol  logS: -2.4577  SlogP: 3.1214  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.56153  Sterimol/B1: 2.99739  Sterimol/B2: 3.90177  Sterimol/B3: 4.00933
  Sterimol/B4: 4.76442  Sterimol/L: 10.5174 
 
 Surface and Volume Properties
  Accessible surface: 349.091  Positive charged surface: 237.624  Negative charged surface: 111.467  Volume: 174.625
  Hydrophobic surface: 272.133  Hydrophilic surface: 76.958
 
 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.