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ENAMINE-ZINC03370894

 MMsINC code: MMs01401733
Type: Neutral
Formula: C19H25N3O3
SMILES:   O=C1N(CC(=O)NCc2ccc(cc2)C)C(=O)NC12CCCCC2C
InChI:   InChI=1/C19H25N3O3/c1-13-6-8-15(9-7-13)11-20-16(23)12-22-17(24)19(21-18(22)25)10-4-3-5-14(19)2/h6-9,14H,3-5,10-12H2,1-2H3,(H,20,23)(H,21,25)/t14-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -4.12179  SlogP: 2.37832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494999  Sterimol/B1: 3.45479  Sterimol/B2: 3.45492  Sterimol/B3: 4.38153
  Sterimol/B4: 4.84137  Sterimol/L: 19.5173 
 
 Surface and Volume Properties
  Accessible surface: 613.028  Positive charged surface: 403.623  Negative charged surface: 209.405  Volume: 336.25
  Hydrophobic surface: 472.218  Hydrophilic surface: 140.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.