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ENAMINE-ZINC03527650

 MMsINC code: MMs01492191
Type: Neutral
Formula: C20H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCCC2)C(=O)NC1(C)c1ccc(cc1)C
InChI:   InChI=1/C20H26N4O4/c1-13-8-10-14(11-9-13)20(2)17(26)24(19(28)23-20)12-16(25)22-18(27)21-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,23,28)(H2,21,22,25,27)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.3993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.452 g/mol  logS: -4.47576  SlogP: 2.23202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0593313  Sterimol/B1: 2.03005  Sterimol/B2: 3.5335  Sterimol/B3: 4.23414
  Sterimol/B4: 9.28431  Sterimol/L: 17.2747 
 
 Surface and Volume Properties
  Accessible surface: 669.87  Positive charged surface: 450.084  Negative charged surface: 219.786  Volume: 364.875
  Hydrophobic surface: 478.862  Hydrophilic surface: 191.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.