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NANOSIN-ZINC04258060

 MMsINC code: MMs02205642
Type: Neutral
Formula: C26H26N2O4
SMILES:   O=C1N(C2CCCCC2)C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(C2CCCCC2)C1=O
InChI:   InChI=1/C26H26N2O4/c29-23-17-11-13-19-22-20(26(32)28(25(19)31)16-9-5-2-6-10-16)14-12-18(21(17)22)24(30)27(23)15-7-3-1-4-8-15/h11-16H,1-10H2

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Potential Energy
Epot(MMFF94)=80.8568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.504 g/mol  logS: -7.30474  SlogP: 4.6972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388278  Sterimol/B1: 2.48124  Sterimol/B2: 3.62288  Sterimol/B3: 3.6269
  Sterimol/B4: 7.44585  Sterimol/L: 20.4545 
 
 Surface and Volume Properties
  Accessible surface: 641.444  Positive charged surface: 431.985  Negative charged surface: 198.388  Volume: 403.875
  Hydrophobic surface: 551.799  Hydrophilic surface: 89.645
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.