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PUBCHEM-ZINC05952920

 MMsINC code: MMs03457978
Type: Neutral
Formula: C20H30N2O5
SMILES:   O=C1C(C(=O)NC2CCCCC2)C(N(C1=O)C1CCCCC1)C(OCC)=O
InChI:   InChI=1/C20H30N2O5/c1-2-27-20(26)16-15(18(24)21-13-9-5-3-6-10-13)17(23)19(25)22(16)14-11-7-4-8-12-14/h13-16H,2-12H2,1H3,(H,21,24)/t15-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=38.5996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.469 g/mol  logS: -3.74402  SlogP: 1.7272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706237  Sterimol/B1: 2.43571  Sterimol/B2: 2.92808  Sterimol/B3: 5.21616
  Sterimol/B4: 10.4588  Sterimol/L: 17.0231 
 
 Surface and Volume Properties
  Accessible surface: 660.327  Positive charged surface: 488.098  Negative charged surface: 172.229  Volume: 366.875
  Hydrophobic surface: 522.491  Hydrophilic surface: 137.836
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.