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PUBCHEM-ZINC06860681

 MMsINC code: MMs03879591
Type: Neutral
Formula: C23H23N3O5
SMILES:   O=C1N(C)C(=O)N(Cc2ccccc2)C(N)=C1C(=O)COC(=O)c1cccc(C)c1C
InChI:   InChI=1/C23H23N3O5/c1-14-8-7-11-17(15(14)2)22(29)31-13-18(27)19-20(24)26(23(30)25(3)21(19)28)12-16-9-5-4-6-10-16/h4-11H,12-13,24H2,1-3H3

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Potential Energy
Epot(MMFF94)=88.9497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.453 g/mol  logS: -5.47994  SlogP: 2.56024  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0444081  Sterimol/B1: 3.82366  Sterimol/B2: 4.25381  Sterimol/B3: 5.21878
  Sterimol/B4: 5.98135  Sterimol/L: 19.7343 
 
 Surface and Volume Properties
  Accessible surface: 691.449  Positive charged surface: 441.034  Negative charged surface: 250.415  Volume: 390.75
  Hydrophobic surface: 546.547  Hydrophilic surface: 144.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.