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ENAMINE-ZINC03450059

 MMsINC code: MMs01449853
Type: Neutral
Formula: C19H25N3O3
SMILES:   O=C1N(CC(=O)N(C)C2CCCCC2)C(=O)NC1(C)c1ccccc1
InChI:   InChI=1/C19H25N3O3/c1-19(14-9-5-3-6-10-14)17(24)22(18(25)20-19)13-16(23)21(2)15-11-7-4-8-12-15/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3,(H,20,25)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.3081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.427 g/mol  logS: -3.66732  SlogP: 2.5562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0784184  Sterimol/B1: 2.20792  Sterimol/B2: 2.39192  Sterimol/B3: 5.74612
  Sterimol/B4: 5.93995  Sterimol/L: 18.1301 
 
 Surface and Volume Properties
  Accessible surface: 596.317  Positive charged surface: 396.468  Negative charged surface: 199.85  Volume: 333.875
  Hydrophobic surface: 476.351  Hydrophilic surface: 119.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.