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ENAMINE-ZINC01061316

 MMsINC code: MMs01237809
Type: Neutral
Formula: C24H23N3O2
SMILES:   Oc1ccccc1\C=N\NC(=O)c1ccc(N2Cc3cc(C)c(cc3C2)C)cc1
InChI:   InChI=1/C24H23N3O2/c1-16-11-20-14-27(15-21(20)12-17(16)2)22-9-7-18(8-10-22)24(29)26-25-13-19-5-3-4-6-23(19)28/h3-13,28H,14-15H2,1-2H3,(H,26,29)/b25-13+

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Potential Energy
Epot(MMFF94)=196.193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.467 g/mol  logS: -5.94175  SlogP: 4.82594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0137286  Sterimol/B1: 2.44518  Sterimol/B2: 2.51747  Sterimol/B3: 3.75217
  Sterimol/B4: 6.54333  Sterimol/L: 22.984 
 
 Surface and Volume Properties
  Accessible surface: 699.804  Positive charged surface: 423.044  Negative charged surface: 276.76  Volume: 384.375
  Hydrophobic surface: 578.994  Hydrophilic surface: 120.81
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.