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PUBCHEM-ZINC05113961

 MMsINC code: MMs03202050
Type: Neutral
Formula: C4H10N3-3
SMILES:   [N-](CC[NH-])CC[NH-]
InChI:   InChI=1/C4H10N3/c5-1-3-7-4-2-6/h5-6H,1-4H2/q-3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.6702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 100.145 g/mol  logS: 1.18663  SlogP: -0.0741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567071  Sterimol/B1: 2.11406  Sterimol/B2: 2.37493  Sterimol/B3: 2.37558
  Sterimol/B4: 3.01476  Sterimol/L: 11.5946 
 
 Surface and Volume Properties
  Accessible surface: 308.651  Positive charged surface: 204.895  Negative charged surface: 103.756  Volume: 112.375
  Hydrophobic surface: 177.297  Hydrophilic surface: 131.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 3  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.