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CHEMDIV-ZINC03044441

 MMsINC code: MMs00907275
Type: Neutral
Formula: C23H24N2O4
SMILES:   O1c2cc(ccc2OC1)CN1C(c2c(cccc2)C1=O)C(=O)NC1CCCCC1
InChI:   InChI=1/C23H24N2O4/c26-22(24-16-6-2-1-3-7-16)21-17-8-4-5-9-18(17)23(27)25(21)13-15-10-11-19-20(12-15)29-14-28-19/h4-5,8-12,16,21H,1-3,6-7,13-14H2,(H,24,26)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -4.91413  SlogP: 3.9232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109025  Sterimol/B1: 2.24743  Sterimol/B2: 3.47034  Sterimol/B3: 6.02526
  Sterimol/B4: 9.06797  Sterimol/L: 16.7307 
 
 Surface and Volume Properties
  Accessible surface: 659.781  Positive charged surface: 440.247  Negative charged surface: 219.533  Volume: 374.625
  Hydrophobic surface: 544.146  Hydrophilic surface: 115.635
 
 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.