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PUBCHEM-ZINC06145764

 MMsINC code: MMs03562955
Type: Neutral
Formula: C19H24N2O4
SMILES:   O(CC1CC1)C1C2N(CC1)C(=O)C(NC2=O)Cc1ccc(OC)cc1
InChI:   InChI=1/C19H24N2O4/c1-24-14-6-4-12(5-7-14)10-15-19(23)21-9-8-16(17(21)18(22)20-15)25-11-13-2-3-13/h4-7,13,15-17H,2-3,8-11H2,1H3,(H,20,22)/t15-,16-,17+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.411 g/mol  logS: -2.98024  SlogP: 1.13217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0604207  Sterimol/B1: 3.45622  Sterimol/B2: 3.58592  Sterimol/B3: 3.9094
  Sterimol/B4: 6.90419  Sterimol/L: 18.0804 
 
 Surface and Volume Properties
  Accessible surface: 616.807  Positive charged surface: 434.193  Negative charged surface: 182.615  Volume: 334.75
  Hydrophobic surface: 478.668  Hydrophilic surface: 138.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.