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ENAMINE-ZINC03230671

 MMsINC code: MMs01318867
Type: Neutral
Formula: C15H24N2O4
SMILES:   OC(=O)CC1(CCCC1)CC(=O)N1CCC(CC1)C(=O)N
InChI:   InChI=1/C15H24N2O4/c16-14(21)11-3-7-17(8-4-11)12(18)9-15(10-13(19)20)5-1-2-6-15/h11H,1-10H2,(H2,16,21)(H,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.367 g/mol  logS: -2.16483  SlogP: 1.1355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143714  Sterimol/B1: 2.47176  Sterimol/B2: 2.76012  Sterimol/B3: 4.54791
  Sterimol/B4: 7.5363  Sterimol/L: 13.7825 
 
 Surface and Volume Properties
  Accessible surface: 523.648  Positive charged surface: 389.154  Negative charged surface: 134.493  Volume: 285.25
  Hydrophobic surface: 328.34  Hydrophilic surface: 195.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01318868
ENAMINE-ZINC03230671