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CHEMSTAR-ZINC04091185

 MMsINC code: MMs01101822
Type: Neutral
Formula: C29H23NO5
SMILES:   O1C2(C3C(C1c1ccc(cc1)CC)C(=O)N(C3=O)c1ccc(cc1)C)C(=O)c1c(ccc
c1)C2=O
InChI:   InChI=1/C29H23NO5/c1-3-17-10-12-18(13-11-17)24-22-23(28(34)30(27(22)33)19-14-8-16(2)9-15-19)29(35-24)25(31)20-6-4-5-7-21(20)26(29)32/h4-15,22-24H,3H2,1-2H3/t22-,23-,24-/m0/s1

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Potential Energy
Epot(MMFF94)=134.339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.505 g/mol  logS: -7.60553  SlogP: 4.34799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140414  Sterimol/B1: 2.33366  Sterimol/B2: 2.35572  Sterimol/B3: 6.17369
  Sterimol/B4: 12.1443  Sterimol/L: 16.6396 
 
 Surface and Volume Properties
  Accessible surface: 711.318  Positive charged surface: 403.683  Negative charged surface: 307.634  Volume: 431.375
  Hydrophobic surface: 589.821  Hydrophilic surface: 121.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.