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ENAMINE-ZINC03341051

 MMsINC code: MMs01383154
Type: Neutral
Formula: C19H25N3O3
SMILES:   O=C1N(CC(=O)NC(C)c2ccccc2)C(=O)NC12CCCCCC2
InChI:   InChI=1/C19H25N3O3/c1-14(15-9-5-4-6-10-15)20-16(23)13-22-17(24)19(21-18(22)25)11-7-2-3-8-12-19/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3,(H,20,23)(H,21,25)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.7326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -4.28853  SlogP: 2.6041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675499  Sterimol/B1: 2.57821  Sterimol/B2: 2.64522  Sterimol/B3: 5.40323
  Sterimol/B4: 5.4237  Sterimol/L: 18.3816 
 
 Surface and Volume Properties
  Accessible surface: 598.735  Positive charged surface: 377.676  Negative charged surface: 221.06  Volume: 331.875
  Hydrophobic surface: 472.132  Hydrophilic surface: 126.603
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.