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ENAMINE-ZINC02652142

 MMsINC code: MMs01276128
Type: Neutral
Formula: C19H23N3O5
SMILES:   O=C1N(CC(=O)Nc2ccc(cc2)C(OC)=O)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C19H23N3O5/c1-12-7-9-19(10-8-12)17(25)22(18(26)21-19)11-15(23)20-14-5-3-13(4-6-14)16(24)27-2/h3-6,12H,7-11H2,1-2H3,(H,20,23)(H,21,26)/t12-,19+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.2866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.409 g/mol  logS: -4.39901  SlogP: 1.9124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0328405  Sterimol/B1: 3.36308  Sterimol/B2: 3.39451  Sterimol/B3: 4.40675
  Sterimol/B4: 6.98505  Sterimol/L: 19.4508 
 
 Surface and Volume Properties
  Accessible surface: 631.367  Positive charged surface: 432.961  Negative charged surface: 198.406  Volume: 347.625
  Hydrophobic surface: 447.192  Hydrophilic surface: 184.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.