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CHEMDIV-ZINC06811741

 MMsINC code: MMs01039523
Type: Neutral
Formula: C24H24N2O5
SMILES:   O(C(=O)c1ccccc1NC(=O)Cn1c(ccc1CCC(O)=O)-c1ccc(cc1)C)C
InChI:   InChI=1/C24H24N2O5/c1-16-7-9-17(10-8-16)21-13-11-18(12-14-23(28)29)26(21)15-22(27)25-20-6-4-3-5-19(20)24(30)31-2/h3-11,13H,12,14-15H2,1-2H3,(H,25,27)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.03508  SlogP: 4.17239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160685  Sterimol/B1: 2.74179  Sterimol/B2: 3.18189  Sterimol/B3: 6.23023
  Sterimol/B4: 10.8922  Sterimol/L: 16.5165 
 
 Surface and Volume Properties
  Accessible surface: 718.112  Positive charged surface: 452.588  Negative charged surface: 265.524  Volume: 402.625
  Hydrophobic surface: 565.84  Hydrophilic surface: 152.272
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01039524
CHEMDIV-ZINC06811741