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AURORAFEINCHEMIE-ZINC04027708

 MMsINC code: MMs00462344
Type: Neutral
Formula: C24H43NO3
SMILES:   O=C1CCC(\C=C\C(O)CCCCC)C1CCCCCCC(=O)NCC(C)C
InChI:   InChI=1/C24H43NO3/c1-4-5-8-11-21(26)16-14-20-15-17-23(27)22(20)12-9-6-7-10-13-24(28)25-18-19(2)3/h14,16,19-22,26H,4-13,15,17-18H2,1-3H3,(H,25,28)/b16-14+/t20-,21-,22+/m0/s1

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Potential Energy
Epot(MMFF94)=33.4498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.612 g/mol  logS: -4.77974  SlogP: 5.1919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198608  Sterimol/B1: 2.35894  Sterimol/B2: 2.80072  Sterimol/B3: 4.13905
  Sterimol/B4: 9.62611  Sterimol/L: 27.4436 
 
 Surface and Volume Properties
  Accessible surface: 828.926  Positive charged surface: 635.177  Negative charged surface: 193.748  Volume: 438
  Hydrophobic surface: 643.16  Hydrophilic surface: 185.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.