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PUBCHEM-ZINC05828253

 MMsINC code: MMs03403800
Type: Neutral
Formula: C3H8N2O-2
SMILES:   OC(C[NH-])C[NH-]
InChI:   InChI=1/C3H8N2O/c4-1-3(6)2-5/h3-6H,1-2H2/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.5795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 88.11 g/mol  logS: 1.1805  SlogP: -1.0869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155529  Sterimol/B1: 2.55945  Sterimol/B2: 2.56283  Sterimol/B3: 3.18175
  Sterimol/B4: 3.81836  Sterimol/L: 9.18718 
 
 Surface and Volume Properties
  Accessible surface: 258.559  Positive charged surface: 169.443  Negative charged surface: 89.1163  Volume: 89.375
  Hydrophobic surface: 99.3111  Hydrophilic surface: 159.2479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 1  Acid groups: 2  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.