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ENAMINE-ZINC03341054

 MMsINC code: MMs01383155
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.8394 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: 0.0643944  Sterimol/B1: 2.01817  Sterimol/B2: 3.1888  Sterimol/B3: 4.84585
  Sterimol/B4: 6.09391  Sterimol/L: 18.43 
 
 Surface and Volume Properties
  Accessible surface: 601.726  Positive charged surface: 382.777  Negative charged surface: 218.949  Volume: 333.625
  Hydrophobic surface: 474.35  Hydrophilic surface: 127.376
 
 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.