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ENAMINE-ZINC03349075

 MMsINC code: MMs01388361
Type: Neutral
Formula: C19H24N2O2
SMILES:   O(CCN(CC(=O)NC(C)c1ccccc1)C)c1ccccc1
InChI:   InChI=1/C19H24N2O2/c1-16(17-9-5-3-6-10-17)20-19(22)15-21(2)13-14-23-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,20,22)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.0564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.413 g/mol  logS: -3.60083  SlogP: 2.9701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485919  Sterimol/B1: 2.38853  Sterimol/B2: 2.89128  Sterimol/B3: 4.1247
  Sterimol/B4: 6.62515  Sterimol/L: 19.8572 
 
 Surface and Volume Properties
  Accessible surface: 627.033  Positive charged surface: 412.393  Negative charged surface: 214.64  Volume: 326
  Hydrophobic surface: 572.645  Hydrophilic surface: 54.388
 
 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


MMs01388362
ENAMINE-ZINC03349075