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ENAMINE-ZINC03360283

 MMsINC code: MMs01395477
Type: Neutral
Formula: C23H19N3O2
SMILES:   O(C)c1ccc2c(cccc2)c1\C=N\N=C/1\c2c(N(CC=C)C\1=O)cccc2
InChI:   InChI=1/C23H19N3O2/c1-3-14-26-20-11-7-6-10-18(20)22(23(26)27)25-24-15-19-17-9-5-4-8-16(17)12-13-21(19)28-2/h3-13,15H,1,14H2,2H3/b24-15+,25-22-

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Potential Energy
Epot(MMFF94)=138.374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.424 g/mol  logS: -6.46113  SlogP: 4.2042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0177482  Sterimol/B1: 2.3881  Sterimol/B2: 2.43421  Sterimol/B3: 4.00949
  Sterimol/B4: 9.23341  Sterimol/L: 17.4332 
 
 Surface and Volume Properties
  Accessible surface: 637.019  Positive charged surface: 397.562  Negative charged surface: 228.358  Volume: 362.125
  Hydrophobic surface: 526.627  Hydrophilic surface: 110.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.