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CHEMSTAR-ZINC01407161

 MMsINC code: MMs01078507
Type: Neutral
Formula: C29H23NO5
SMILES:   O1C2(C3C(C1c1ccc(cc1)C)C(=O)N(c1cccc(C)c1C)C3=O)C(=O)c1c(ccc
c1)C2=O
InChI:   InChI=1/C29H23NO5/c1-15-11-13-18(14-12-15)24-22-23(28(34)30(27(22)33)21-10-6-7-16(2)17(21)3)29(35-24)25(31)19-8-4-5-9-20(19)26(29)32/h4-14,22-24H,1-3H3/t22-,23-,24+/m0/s1

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Potential Energy
Epot(MMFF94)=123.018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.505 g/mol  logS: -7.25078  SlogP: 4.40246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139642  Sterimol/B1: 3.72483  Sterimol/B2: 4.27664  Sterimol/B3: 4.35682
  Sterimol/B4: 11.0012  Sterimol/L: 16.6761 
 
 Surface and Volume Properties
  Accessible surface: 714.61  Positive charged surface: 380.771  Negative charged surface: 333.839  Volume: 435.375
  Hydrophobic surface: 617.206  Hydrophilic surface: 97.404
 
 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.