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FDA-ZINC01530701

 MMsINC code: MMs01725523
Type: Neutral
Formula: C9H18N2O4
SMILES:   O(CC(CCC)(COC(=O)N)C)C(=O)N
InChI:   InChI=1/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=-11.6354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.253 g/mol  logS: -1.93705  SlogP: 0.9834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149311  Sterimol/B1: 2.19723  Sterimol/B2: 3.29796  Sterimol/B3: 3.53243
  Sterimol/B4: 7.35044  Sterimol/L: 13.8627 
 
 Surface and Volume Properties
  Accessible surface: 445.477  Positive charged surface: 316.258  Negative charged surface: 129.219  Volume: 210.75
  Hydrophobic surface: 176.274  Hydrophilic surface: 269.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.