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NCID-ZINC04972198

 MMsINC code: MMs02420895
Type: Neutral
Formula: C18H24N2O6
SMILES:   O(C(=O)C)c1cc(ccc1)C(NC(=O)C(NC(=O)C)C)C(OC(=O)C)C
InChI:   InChI=1/C18H24N2O6/c1-10(19-12(3)21)18(24)20-17(11(2)25-13(4)22)15-7-6-8-16(9-15)26-14(5)23/h6-11,17H,1-5H3,(H,19,21)(H,20,24)/t10-,11+,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.4617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.398 g/mol  logS: -3.13441  SlogP: 1.3409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115298  Sterimol/B1: 2.9284  Sterimol/B2: 3.16859  Sterimol/B3: 5.78791
  Sterimol/B4: 7.6945  Sterimol/L: 17.2955 
 
 Surface and Volume Properties
  Accessible surface: 638.349  Positive charged surface: 393.31  Negative charged surface: 245.039  Volume: 344.25
  Hydrophobic surface: 463.681  Hydrophilic surface: 174.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.