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PUBCHEM-ZINC06646766

 MMsINC code: MMs03833924
Type: Neutral
Formula: C24H25NO3
SMILES:   O(C)c1ccc(cc1)C(N1CCCCC1C(O)=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C24H25NO3/c1-28-19-14-12-18(13-15-19)23(25-16-5-4-11-22(25)24(26)27)21-10-6-8-17-7-2-3-9-20(17)21/h2-3,6-10,12-15,22-23H,4-5,11,16H2,1H3,(H,26,27)/t22-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.468 g/mol  logS: -5.70248  SlogP: 4.9724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24325  Sterimol/B1: 3.7896  Sterimol/B2: 4.33969  Sterimol/B3: 5.12342
  Sterimol/B4: 7.23678  Sterimol/L: 15.9604 
 
 Surface and Volume Properties
  Accessible surface: 608.104  Positive charged surface: 402.561  Negative charged surface: 198.992  Volume: 371.5
  Hydrophobic surface: 534.588  Hydrophilic surface: 73.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.