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PUBCHEM-ZINC05828632

 MMsINC code: MMs03404057
Type: Neutral
Formula: C4H11N2-
SMILES:   NCCCC[NH-]
InChI:   InChI=1/C4H11N2/c5-3-1-2-4-6/h5H,1-4,6H2/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.23053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 87.146 g/mol  logS: 0.59881  SlogP: 0.0082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0817519  Sterimol/B1: 2.2629  Sterimol/B2: 2.47232  Sterimol/B3: 2.67249
  Sterimol/B4: 3.16245  Sterimol/L: 10.4414 
 
 Surface and Volume Properties
  Accessible surface: 286.644  Positive charged surface: 223.283  Negative charged surface: 63.3606  Volume: 104.875
  Hydrophobic surface: 158.401  Hydrophilic surface: 128.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 1  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.