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ENAMINE-ZINC04476710

 MMsINC code: MMs01540233
Type: Neutral
Formula: C19H25N3O3
SMILES:   O=C1N(CC(=O)N2C(CCCC2C)C)C(=O)NC1(C)c1ccccc1
InChI:   InChI=1/C19H25N3O3/c1-13-8-7-9-14(2)22(13)16(23)12-21-17(24)19(3,20-18(21)25)15-10-5-4-6-11-15/h4-6,10-11,13-14H,7-9,12H2,1-3H3,(H,20,25)/t13-,14+,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -3.60475  SlogP: 2.5546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0734389  Sterimol/B1: 2.27308  Sterimol/B2: 3.29468  Sterimol/B3: 4.62146
  Sterimol/B4: 7.18541  Sterimol/L: 16.5791 
 
 Surface and Volume Properties
  Accessible surface: 576.358  Positive charged surface: 371.552  Negative charged surface: 204.807  Volume: 331.875
  Hydrophobic surface: 433.637  Hydrophilic surface: 142.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.