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PUBCHEM-ZINC06599930

 MMsINC code: MMs03815195
Type: Neutral
Formula: C30H23NO7
SMILES:   O1C2(C3C(C1c1ccc(cc1)C(OCC)=O)C(=O)N(C3=O)c1cc(ccc1)C)C(=O)c
1c(cccc1)C2=O
InChI:   InChI=1/C30H23NO7/c1-3-37-29(36)18-13-11-17(12-14-18)24-22-23(28(35)31(27(22)34)19-8-6-7-16(2)15-19)30(38-24)25(32)20-9-4-5-10-21(20)26(30)33/h4-15,22-24H,3H2,1-2H3/t22-,23+,24-/m1/s1

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Potential Energy
Epot(MMFF94)=149.519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 509.514 g/mol  logS: -7.32533  SlogP: 3.96232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114496  Sterimol/B1: 2.65369  Sterimol/B2: 6.54172  Sterimol/B3: 6.61291
  Sterimol/B4: 9.52634  Sterimol/L: 18.0194 
 
 Surface and Volume Properties
  Accessible surface: 763.133  Positive charged surface: 431.488  Negative charged surface: 331.645  Volume: 459.875
  Hydrophobic surface: 599.003  Hydrophilic surface: 164.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.