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NCID-ZINC05618790

 MMsINC code: MMs02481110
Type: Neutral
Formula: C28H26N2O5
SMILES:   O1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(O)CC1N1C=CC(=O)NC1=O
InChI:   InChI=1/C28H26N2O5/c31-23-18-26(30-17-16-25(32)29-27(30)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,31H,18-19H2,(H,29,32,33)/t23-,24+,26-/m1/s1

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Potential Energy
Epot(MMFF94)=131.584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.525 g/mol  logS: -5.92484  SlogP: 3.848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247822  Sterimol/B1: 2.56146  Sterimol/B2: 5.62113  Sterimol/B3: 6.28031
  Sterimol/B4: 8.55587  Sterimol/L: 16.4743 
 
 Surface and Volume Properties
  Accessible surface: 740.176  Positive charged surface: 429.823  Negative charged surface: 310.353  Volume: 442.625
  Hydrophobic surface: 573.564  Hydrophilic surface: 166.612
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.