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ENAMINE-ZINC05798026

 MMsINC code: MMs01640331
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.1695 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: 0.111633  Sterimol/B1: 2.00307  Sterimol/B2: 3.20669  Sterimol/B3: 6.02037
  Sterimol/B4: 9.16474  Sterimol/L: 18.2166 
 
 Surface and Volume Properties
  Accessible surface: 700.992  Positive charged surface: 436.177  Negative charged surface: 264.814  Volume: 410
  Hydrophobic surface: 520.517  Hydrophilic surface: 180.475
 
 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.