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CHEMSTAR-ZINC04091188

 MMsINC code: MMs01101825
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+/m1/s1

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Potential Energy
Epot(MMFF94)=134.36 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: 0.110387  Sterimol/B1: 3.48754  Sterimol/B2: 4.69566  Sterimol/B3: 5.31608
  Sterimol/B4: 10.9011  Sterimol/L: 18.2329 
 
 Surface and Volume Properties
  Accessible surface: 730.058  Positive charged surface: 395.412  Negative charged surface: 334.647  Volume: 431.25
  Hydrophobic surface: 597.221  Hydrophilic surface: 132.837
 
 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.