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NCID-ZINC05542142

 MMsINC code: MMs02472443
Type: Neutral
Formula: C23H34N2O5
SMILES:   O(C(=O)C1N(CCC1)C(=O)C(NC(OC(C)(C)C)=O)CC(C)C)Cc1ccccc1
InChI:   InChI=1/C23H34N2O5/c1-16(2)14-18(24-22(28)30-23(3,4)5)20(26)25-13-9-12-19(25)21(27)29-15-17-10-7-6-8-11-17/h6-8,10-11,16,18-19H,9,12-15H2,1-5H3,(H,24,28)/t18-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.534 g/mol  logS: -5.17601  SlogP: 3.9266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110741  Sterimol/B1: 3.53158  Sterimol/B2: 5.22897  Sterimol/B3: 5.98011
  Sterimol/B4: 6.87976  Sterimol/L: 20.1794 
 
 Surface and Volume Properties
  Accessible surface: 736.086  Positive charged surface: 504.51  Negative charged surface: 231.576  Volume: 418.75
  Hydrophobic surface: 588.675  Hydrophilic surface: 147.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.