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CHEMSTAR-ZINC04553376

 MMsINC code: MMs01117268
Type: Neutral
Formula: C23H26N2O5
SMILES:   O=C1N(CCC(=O)Nc2ccc(cc2)C(OCC(C)C)=O)C(=O)C2C1C1CC2C=C1
InChI:   InChI=1/C23H26N2O5/c1-13(2)12-30-23(29)14-5-7-17(8-6-14)24-18(26)9-10-25-21(27)19-15-3-4-16(11-15)20(19)22(25)28/h3-8,13,15-16,19-20H,9-12H2,1-2H3,(H,24,26)/t15-,16+,19-,20+

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Potential Energy
Epot(MMFF94)=86.9013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.47 g/mol  logS: -3.52874  SlogP: 2.6351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235171  Sterimol/B1: 2.2878  Sterimol/B2: 3.18548  Sterimol/B3: 4.55333
  Sterimol/B4: 5.48984  Sterimol/L: 23.478 
 
 Surface and Volume Properties
  Accessible surface: 709.871  Positive charged surface: 470.082  Negative charged surface: 239.789  Volume: 388
  Hydrophobic surface: 509.314  Hydrophilic surface: 200.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.