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ENAMINE-ZINC03458047

 MMsINC code: MMs01455352
Type: Neutral
Formula: C19H23N3O5
SMILES:   O1c2cc(ccc2OC1)CNC(=O)CN1C(=O)C2(NC1=O)CCC(CC2)C
InChI:   InChI=1/C19H23N3O5/c1-12-4-6-19(7-5-12)17(24)22(18(25)21-19)10-16(23)20-9-13-2-3-14-15(8-13)27-11-26-14/h2-3,8,12H,4-7,9-11H2,1H3,(H,20,23)(H,21,25)/t12-,19+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.9598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.409 g/mol  logS: -3.91642  SlogP: 1.7986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405821  Sterimol/B1: 2.78286  Sterimol/B2: 3.92182  Sterimol/B3: 4.43063
  Sterimol/B4: 4.57111  Sterimol/L: 20.9599 
 
 Surface and Volume Properties
  Accessible surface: 629.676  Positive charged surface: 429.289  Negative charged surface: 200.387  Volume: 343.25
  Hydrophobic surface: 419.608  Hydrophilic surface: 210.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.