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NCID-ZINC05371098

 MMsINC code: MMs02455886
Type: Neutral
Formula: C30H35NO6
SMILES:   O1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)C(OC)C(OC)C(NC(=O)C)C1OC
InChI:   InChI=1/C30H35NO6/c1-21(32)31-26-28(34-3)27(33-2)25(37-29(26)35-4)20-36-30(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-19,25-29H,20H2,1-4H3,(H,31,32)/t25-,26+,27+,28-,29-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=188.852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 505.611 g/mol  logS: -5.81694  SlogP: 4.2126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.265133  Sterimol/B1: 4.24204  Sterimol/B2: 6.10845  Sterimol/B3: 7.01767
  Sterimol/B4: 7.16927  Sterimol/L: 16.4098 
 
 Surface and Volume Properties
  Accessible surface: 786.608  Positive charged surface: 542.388  Negative charged surface: 244.221  Volume: 498.5
  Hydrophobic surface: 744.936  Hydrophilic surface: 41.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.