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ENAMINE-ZINC05798027

 MMsINC code: MMs01640332
Type: Neutral
Formula: C24H29N3O3
SMILES:   O=C1N(CC(=O)N(Cc2ccccc2)CC)C(=O)NC1(C)c1ccc(cc1)C(C)C
InChI:   InChI=1/C24H29N3O3/c1-5-26(15-18-9-7-6-8-10-18)21(28)16-27-22(29)24(4,25-23(27)30)20-13-11-19(12-14-20)17(2)3/h6-14,17H,5,15-16H2,1-4H3,(H,25,30)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.0052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.514 g/mol  logS: -5.79565  SlogP: 4.2036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906715  Sterimol/B1: 2.82871  Sterimol/B2: 3.76455  Sterimol/B3: 4.95861
  Sterimol/B4: 8.67603  Sterimol/L: 15.9907 
 
 Surface and Volume Properties
  Accessible surface: 698.076  Positive charged surface: 438.325  Negative charged surface: 259.751  Volume: 409.625
  Hydrophobic surface: 515.195  Hydrophilic surface: 182.881
 
 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.