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ENAMINE-ZINC03322902

 MMsINC code: MMs01371207
Type: Neutral
Formula: C24H29N3O3
SMILES:   O=C1N(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C24H29N3O3/c1-17(2)14-15-24(3)22(29)27(23(30)26-24)16-20(28)25-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,21H,14-16H2,1-3H3,(H,25,28)(H,26,30)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.916 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.514 g/mol  logS: -6.14471  SlogP: 3.7344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0719836  Sterimol/B1: 2.41182  Sterimol/B2: 4.29325  Sterimol/B3: 5.72386
  Sterimol/B4: 6.99008  Sterimol/L: 19.7496 
 
 Surface and Volume Properties
  Accessible surface: 724.978  Positive charged surface: 437.124  Negative charged surface: 287.855  Volume: 411.625
  Hydrophobic surface: 547.318  Hydrophilic surface: 177.66
 
 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.