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ENAMINE-ZINC05220200

 MMsINC code: MMs01601020
Type: Neutral
Formula: C23H24N2O5
SMILES:   O=C1N(Cc2cc(ccc2)C(OCC(=O)NC(C(C)C)C)=O)C(=O)c2c1cccc2
InChI:   InChI=1/C23H24N2O5/c1-14(2)15(3)24-20(26)13-30-23(29)17-8-6-7-16(11-17)12-25-21(27)18-9-4-5-10-19(18)22(25)28/h4-11,14-15H,12-13H2,1-3H3,(H,24,26)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.8847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -5.31489  SlogP: 3.0667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438765  Sterimol/B1: 2.52655  Sterimol/B2: 4.67404  Sterimol/B3: 5.22239
  Sterimol/B4: 6.03452  Sterimol/L: 20.7174 
 
 Surface and Volume Properties
  Accessible surface: 707.07  Positive charged surface: 427.771  Negative charged surface: 279.298  Volume: 388
  Hydrophobic surface: 495.627  Hydrophilic surface: 211.443
 
 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.