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NCID-ZINC05883534

 MMsINC code: MMs02509505
Type: Neutral
Formula: C27H26N2O4
SMILES:   O(Cc1ccccc1)C(=O)NC1CC(NC(OCc2ccccc2)=O)C2C1c1c2cccc1
InChI:   InChI=1/C27H26N2O4/c30-26(32-16-18-9-3-1-4-10-18)28-22-15-23(25-21-14-8-7-13-20(21)24(22)25)29-27(31)33-17-19-11-5-2-6-12-19/h1-14,22-25H,15-17H2,(H,28,30)(H,29,31)/t22-,23-,24-,25-/m1/s1

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Potential Energy
Epot(MMFF94)=125.564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.515 g/mol  logS: -5.73809  SlogP: 5.3939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464012  Sterimol/B1: 3.29808  Sterimol/B2: 3.41938  Sterimol/B3: 4.47205
  Sterimol/B4: 8.453  Sterimol/L: 23.2715 
 
 Surface and Volume Properties
  Accessible surface: 797.949  Positive charged surface: 461.479  Negative charged surface: 319.613  Volume: 432
  Hydrophobic surface: 689.744  Hydrophilic surface: 108.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.