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ENAMINE-ZINC03543361

 MMsINC code: MMs01499372
Type: Neutral
Formula: C19H30N2O4
SMILES:   O(C(=O)c1[nH]c(C)c(C(O)C)c1C)CC(=O)NC1CCCC(C)C1C
InChI:   InChI=1/C19H30N2O4/c1-10-7-6-8-15(11(10)2)21-16(23)9-25-19(24)18-12(3)17(14(5)22)13(4)20-18/h10-11,14-15,20,22H,6-9H2,1-5H3,(H,21,23)/t10-,11+,14-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=53.4375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.459 g/mol  logS: -3.29554  SlogP: 2.87804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0381694  Sterimol/B1: 2.17164  Sterimol/B2: 3.00662  Sterimol/B3: 4.41564
  Sterimol/B4: 6.8935  Sterimol/L: 20.0954 
 
 Surface and Volume Properties
  Accessible surface: 651.22  Positive charged surface: 461.321  Negative charged surface: 189.898  Volume: 357.125
  Hydrophobic surface: 447.646  Hydrophilic surface: 203.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.