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ENAMINE-ZINC05268480

 MMsINC code: MMs01606142
Type: Neutral
Formula: C26H30N2O3
SMILES:   O(C)c1cc2C=C(CN(C(=O)C3CCCCC3)c3cc(C)c(cc3)C)C(=O)Nc2cc1
InChI:   InChI=1/C26H30N2O3/c1-17-9-10-22(13-18(17)2)28(26(30)19-7-5-4-6-8-19)16-21-14-20-15-23(31-3)11-12-24(20)27-25(21)29/h9-15,19H,4-8,16H2,1-3H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.77 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.537 g/mol  logS: -6.96796  SlogP: 5.26104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129681  Sterimol/B1: 2.13088  Sterimol/B2: 3.7639  Sterimol/B3: 5.17979
  Sterimol/B4: 10.0321  Sterimol/L: 17.0783 
 
 Surface and Volume Properties
  Accessible surface: 690.701  Positive charged surface: 492.37  Negative charged surface: 198.331  Volume: 421.5
  Hydrophobic surface: 612.948  Hydrophilic surface: 77.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.