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NCID-ZINC05053166

 MMsINC code: MMs02434460
Type: Neutral
Formula: C19H26N2O7
SMILES:   O(Cc1ccccc1)C(=O)NCCCC(=O)NC(CCC(OC)=O)C(OC)=O
InChI:   InChI=1/C19H26N2O7/c1-26-17(23)11-10-15(18(24)27-2)21-16(22)9-6-12-20-19(25)28-13-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,20,25)(H,21,22)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.1441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.424 g/mol  logS: -2.76412  SlogP: 1.5704  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0272037  Sterimol/B1: 2.53122  Sterimol/B2: 3.50649  Sterimol/B3: 3.99261
  Sterimol/B4: 10.4512  Sterimol/L: 22.6786 
 
 Surface and Volume Properties
  Accessible surface: 755.532  Positive charged surface: 545.224  Negative charged surface: 210.308  Volume: 373.125
  Hydrophobic surface: 571.303  Hydrophilic surface: 184.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.