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ENAMINE-ZINC03235483

 MMsINC code: MMs01321542
Type: Neutral
Formula: C30H26N2O3
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)c1cc(nc2c1cccc2)-c1c2c(ccc1)cccc2
InChI:   InChI=1/C30H26N2O3/c1-34-28-15-14-20(18-29(28)35-2)16-17-31-30(33)25-19-27(32-26-13-6-5-11-24(25)26)23-12-7-9-21-8-3-4-10-22(21)23/h3-15,18-19H,16-17H2,1-2H3,(H,31,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.549 g/mol  logS: -8.32274  SlogP: 6.04467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815611  Sterimol/B1: 2.14737  Sterimol/B2: 5.84739  Sterimol/B3: 7.35537
  Sterimol/B4: 7.77712  Sterimol/L: 21.2828 
 
 Surface and Volume Properties
  Accessible surface: 802.27  Positive charged surface: 503.228  Negative charged surface: 278.284  Volume: 456
  Hydrophobic surface: 735.658  Hydrophilic surface: 66.612
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.