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NCID-ZINC01558602

 MMsINC code: MMs02221580
Type: Neutral
Formula: C10H16N5+
SMILES:   [NH2+]=C1N(C=Nc2n(ncc12)C)CCCC
InChI:   InChI=1/C10H15N5/c1-3-4-5-15-7-12-10-8(9(15)11)6-13-14(10)2/h6-7,11H,3-5H2,1-2H3/p+1

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Potential Energy
Epot(MMFF94)=-2.97614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.273 g/mol  logS: -1.84362  SlogP: 0.0605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0681169  Sterimol/B1: 2.88465  Sterimol/B2: 3.32264  Sterimol/B3: 3.58897
  Sterimol/B4: 4.77073  Sterimol/L: 14.3649 
 
 Surface and Volume Properties
  Accessible surface: 435.454  Positive charged surface: 348.158  Negative charged surface: 87.2962  Volume: 209.75
  Hydrophobic surface: 301.048  Hydrophilic surface: 134.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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


MMs02221581
NCID-ZINC01558602