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PUBCHEM-ZINC06293476

 MMsINC code: MMs03661016
Type: Neutral
Formula: C19H26N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCCCC1)Cc1ccccc1)CC=C
InChI:   InChI=1/C19H26N2O3/c1-2-13-24-18(22)17(14-15-9-5-3-6-10-15)21-19(23)20-16-11-7-4-8-12-16/h2-3,5-6,9-10,16-17H,1,4,7-8,11-14H2,(H2,20,21,23)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.9759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.428 g/mol  logS: -3.80924  SlogP: 2.95877  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0492137  Sterimol/B1: 3.3558  Sterimol/B2: 3.39756  Sterimol/B3: 3.84107
  Sterimol/B4: 6.68927  Sterimol/L: 18.4611 
 
 Surface and Volume Properties
  Accessible surface: 600.311  Positive charged surface: 414.891  Negative charged surface: 185.42  Volume: 335.875
  Hydrophobic surface: 460.291  Hydrophilic surface: 140.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.