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NCID-ZINC05606101

 MMsINC code: MMs02479693
Type: Neutral
Formula: C24H26N4O8
SMILES:   O1C=2C(=Nc3c1c(ccc3C(=O)NCC(OCC)=O)C)C(C(=O)NCC(OCC)=O)=C(N)
C(=O)C=2C
InChI:   InChI=1/C24H26N4O8/c1-5-34-14(29)9-26-23(32)13-8-7-11(3)21-18(13)28-19-16(24(33)27-10-15(30)35-6-2)17(25)20(31)12(4)22(19)36-21/h7-8H,5-6,9-10,25H2,1-4H3,(H,26,32)(H,27,33)

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Potential Energy
Epot(MMFF94)=133.683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.492 g/mol  logS: -5.65071  SlogP: 0.50162  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0559587  Sterimol/B1: 3.57175  Sterimol/B2: 4.34659  Sterimol/B3: 5.13956
  Sterimol/B4: 11.2002  Sterimol/L: 19.416 
 
 Surface and Volume Properties
  Accessible surface: 829.566  Positive charged surface: 568.012  Negative charged surface: 261.554  Volume: 445.25
  Hydrophobic surface: 533.46  Hydrophilic surface: 296.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.