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ASINEX-ZINC04092765

 MMsINC code: MMs00302671
Type: Neutral
Formula: C23H34N4O4
SMILES:   O1CCCC1CN(C(=O)CCC(=O)Nc1nccc(c1)C)CC(=O)NC1CCCCC1
InChI:   InChI=1/C23H34N4O4/c1-17-11-12-24-20(14-17)26-21(28)9-10-23(30)27(15-19-8-5-13-31-19)16-22(29)25-18-6-3-2-4-7-18/h11-12,14,18-19H,2-10,13,15-16H2,1H3,(H,25,29)(H,24,26,28)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.9139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.549 g/mol  logS: -3.28316  SlogP: 2.56522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0504793  Sterimol/B1: 2.68554  Sterimol/B2: 3.64216  Sterimol/B3: 4.24853
  Sterimol/B4: 10.6812  Sterimol/L: 21.6385 
 
 Surface and Volume Properties
  Accessible surface: 783.018  Positive charged surface: 604.082  Negative charged surface: 178.936  Volume: 428.125
  Hydrophobic surface: 655.894  Hydrophilic surface: 127.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.