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OAKWOOD-ZINC02244152

 MMsINC code: MMs02543368
Type: Neutral
Formula: C5H10N2O3
SMILES:   O(C(=O)C(N)CC(=O)N)C
InChI:   InChI=1/C5H10N2O3/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H2,7,8)/t3-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.5649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.146 g/mol  logS: 0.14945  SlogP: -1.6379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08285  Sterimol/B1: 2.26245  Sterimol/B2: 2.80677  Sterimol/B3: 2.91787
  Sterimol/B4: 4.8225  Sterimol/L: 11.087 
 
 Surface and Volume Properties
  Accessible surface: 332.228  Positive charged surface: 254.344  Negative charged surface: 77.8838  Volume: 132.375
  Hydrophobic surface: 141.142  Hydrophilic surface: 191.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.