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ENAMINE-ZINC03615112

 MMsINC code: MMs01525000
Type: Neutral
Formula: C19H24N2O4
SMILES:   O(C)c1ccccc1CNC(=O)CCN1C(=O)C2C(CCCC2)C1=O
InChI:   InChI=1/C19H24N2O4/c1-25-16-9-5-2-6-13(16)12-20-17(22)10-11-21-18(23)14-7-3-4-8-15(14)19(21)24/h2,5-6,9,14-15H,3-4,7-8,10-12H2,1H3,(H,20,22)/t14-,15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.411 g/mol  logS: -3.16182  SlogP: 2.1431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0626023  Sterimol/B1: 2.25789  Sterimol/B2: 3.99804  Sterimol/B3: 4.02282
  Sterimol/B4: 7.21319  Sterimol/L: 17.9306 
 
 Surface and Volume Properties
  Accessible surface: 626.493  Positive charged surface: 444.472  Negative charged surface: 182.021  Volume: 333.25
  Hydrophobic surface: 505.797  Hydrophilic surface: 120.696
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.