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CHEMDIV-ZINC04711317

 MMsINC code: MMs00943255
Type: Neutral
Formula: C23H34N2O4
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)C1CC(=O)N(C1)C1CCCCCCC1
InChI:   InChI=1/C23H34N2O4/c1-28-20-11-10-17(14-21(20)29-2)12-13-24-23(27)18-15-22(26)25(16-18)19-8-6-4-3-5-7-9-19/h10-11,14,18-19H,3-9,12-13,15-16H2,1-2H3,(H,24,27)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.535 g/mol  logS: -4.04864  SlogP: 3.32387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465946  Sterimol/B1: 2.14246  Sterimol/B2: 3.3149  Sterimol/B3: 5.1396
  Sterimol/B4: 7.39372  Sterimol/L: 21.7911 
 
 Surface and Volume Properties
  Accessible surface: 727.282  Positive charged surface: 561.025  Negative charged surface: 166.257  Volume: 406.75
  Hydrophobic surface: 639.454  Hydrophilic surface: 87.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.