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NCID-ZINC05783585

 MMsINC code: MMs02497534
Type: Neutral
Formula: C26H37NO3
SMILES:   O(CCCC)c1cc2CCC3C4CC(=O)N(CCCC)C(=O)C4(CCC3c2cc1)C
InChI:   InChI=1/C26H37NO3/c1-4-6-14-27-24(28)17-23-22-10-8-18-16-19(30-15-7-5-2)9-11-20(18)21(22)12-13-26(23,3)25(27)29/h9,11,16,21-23H,4-8,10,12-15,17H2,1-3H3/t21-,22-,23+,26+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.5533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.586 g/mol  logS: -6.53408  SlogP: 5.48677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455593  Sterimol/B1: 2.18291  Sterimol/B2: 2.72149  Sterimol/B3: 5.96202
  Sterimol/B4: 6.87687  Sterimol/L: 23.604 
 
 Surface and Volume Properties
  Accessible surface: 720.445  Positive charged surface: 517.273  Negative charged surface: 203.172  Volume: 426
  Hydrophobic surface: 601.192  Hydrophilic surface: 119.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.