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ENAMINE-ZINC03526023

 MMsINC code: MMs01491635
Type: Neutral
Formula: C23H28N2O5
SMILES:   O=C1N(C2CCCCC2)C(=O)c2c1cc(cc2)C(OCC(=O)N1CCCCC1C)=O
InChI:   InChI=1/C23H28N2O5/c1-15-7-5-6-12-24(15)20(26)14-30-23(29)16-10-11-18-19(13-16)22(28)25(21(18)27)17-8-3-2-4-9-17/h10-11,13,15,17H,2-9,12,14H2,1H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=84.2006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.486 g/mol  logS: -4.93554  SlogP: 3.1731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217799  Sterimol/B1: 2.23201  Sterimol/B2: 3.48758  Sterimol/B3: 3.85126
  Sterimol/B4: 6.69795  Sterimol/L: 22.2312 
 
 Surface and Volume Properties
  Accessible surface: 696.416  Positive charged surface: 484.375  Negative charged surface: 212.04  Volume: 392.375
  Hydrophobic surface: 552.926  Hydrophilic surface: 143.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.