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SIAL-ZINC00409236

 MMsINC code: MMs03912997
Type: Neutral
Formula: C10H17N3
SMILES:   N(N=N)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C10H17N3/c11-13-12-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2,(H2,11,12)/t7-,8+,9-,10-

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Potential Energy
Epot(MMFF94)=30.4656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.267 g/mol  logS: -2.25972  SlogP: 2.49077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.373286  Sterimol/B1: 2.37695  Sterimol/B2: 3.25489  Sterimol/B3: 4.50015
  Sterimol/B4: 4.87387  Sterimol/L: 10.7661 
 
 Surface and Volume Properties
  Accessible surface: 364.113  Positive charged surface: 275.843  Negative charged surface: 88.2699  Volume: 180.75
  Hydrophobic surface: 278.261  Hydrophilic surface: 85.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.