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PUBCHEM-ZINC03841258

 MMsINC code: MMs03077736
Type: Neutral
Formula: C16H25N3O4
SMILES:   O=C1N(C2CCCCC2)C(=O)N2C1CC(NC(=O)C(O)C)CC2
InChI:   InChI=1/C16H25N3O4/c1-10(20)14(21)17-11-7-8-18-13(9-11)15(22)19(16(18)23)12-5-3-2-4-6-12/h10-13,20H,2-9H2,1H3,(H,17,21)/t10-,11-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=24.6718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.393 g/mol  logS: -2.24926  SlogP: 0.6113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0734367  Sterimol/B1: 2.25483  Sterimol/B2: 3.68164  Sterimol/B3: 3.74102
  Sterimol/B4: 6.20925  Sterimol/L: 17.0055 
 
 Surface and Volume Properties
  Accessible surface: 559.693  Positive charged surface: 398.461  Negative charged surface: 161.232  Volume: 307.875
  Hydrophobic surface: 401.636  Hydrophilic surface: 158.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.