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CHEMDIV-ZINC04575619

 MMsINC code: MMs00938297
Type: Neutral
Formula: C23H27N3O4
SMILES:   O(C)c1cc(N2C(O)(c3c(NC2=O)cccc3)C(=O)NC2CCCCC2C)ccc1
InChI:   InChI=1/C23H27N3O4/c1-15-8-3-5-12-19(15)24-21(27)23(29)18-11-4-6-13-20(18)25-22(28)26(23)16-9-7-10-17(14-16)30-2/h4,6-7,9-11,13-15,19,29H,3,5,8,12H2,1-2H3,(H,24,27)(H,25,28)/t15-,19-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.9267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.486 g/mol  logS: -5.01774  SlogP: 3.8988  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136836  Sterimol/B1: 3.98154  Sterimol/B2: 4.30796  Sterimol/B3: 6.04807
  Sterimol/B4: 7.39233  Sterimol/L: 15.485 
 
 Surface and Volume Properties
  Accessible surface: 637.082  Positive charged surface: 432.554  Negative charged surface: 204.528  Volume: 392.875
  Hydrophobic surface: 505.923  Hydrophilic surface: 131.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.