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NCID-ZINC01697204

 MMsINC code: MMs02327821
Type: Neutral
Formula: C9H14N2O3
SMILES:   O=C1N(CCC)C(=O)N(CC)C(=O)C1
InChI:   InChI=1/C9H14N2O3/c1-3-5-11-8(13)6-7(12)10(4-2)9(11)14/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-24.6988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.222 g/mol  logS: -1.05392  SlogP: 0.5972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875383  Sterimol/B1: 2.72808  Sterimol/B2: 2.77489  Sterimol/B3: 3.07333
  Sterimol/B4: 5.36027  Sterimol/L: 11.8461 
 
 Surface and Volume Properties
  Accessible surface: 395.713  Positive charged surface: 268.324  Negative charged surface: 127.389  Volume: 187.875
  Hydrophobic surface: 256.847  Hydrophilic surface: 138.866
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  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.