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ENAMINE-ZINC03456252

 MMsINC code: MMs01454169
Type: Neutral
Formula: C18H26N2O4
SMILES:   O1CCCC1CNC(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C
InChI:   InChI=1/C18H26N2O4/c1-12(2)16(18(22)19-11-15-5-4-10-24-15)20-17(21)13-6-8-14(23-3)9-7-13/h6-9,12,15-16H,4-5,10-11H2,1-3H3,(H,19,22)(H,20,21)/t15-,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.7251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.416 g/mol  logS: -3.17973  SlogP: 1.7448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073152  Sterimol/B1: 2.01143  Sterimol/B2: 3.66366  Sterimol/B3: 6.08126
  Sterimol/B4: 6.90171  Sterimol/L: 19.3337 
 
 Surface and Volume Properties
  Accessible surface: 624.685  Positive charged surface: 454.717  Negative charged surface: 169.969  Volume: 334
  Hydrophobic surface: 510.934  Hydrophilic surface: 113.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.