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NCID-ZINC05440407

 MMsINC code: MMs02463268
Type: Neutral
Formula: C34H34N4O4
SMILES:   O1C=2C(=Nc3c1c(ccc3C(=O)NCCc1ccc(cc1)C)C)C(C(=O)NCCc1ccc(cc1
)C)=C(N)C(=O)C=2C
InChI:   InChI=1/C34H34N4O4/c1-19-5-10-23(11-6-19)15-17-36-33(40)25-14-9-21(3)31-28(25)38-29-26(27(35)30(39)22(4)32(29)42-31)34(41)37-18-16-24-12-7-20(2)8-13-24/h5-14H,15-18,35H2,1-4H3,(H,36,40)(H,37,41)

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Potential Energy
Epot(MMFF94)=157.355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 562.67 g/mol  logS: -8.78653  SlogP: 4.4776  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0404352  Sterimol/B1: 3.25382  Sterimol/B2: 3.7072  Sterimol/B3: 4.14612
  Sterimol/B4: 10.8625  Sterimol/L: 19.6944 
 
 Surface and Volume Properties
  Accessible surface: 932.324  Positive charged surface: 593.541  Negative charged surface: 338.783  Volume: 547.75
  Hydrophobic surface: 780.395  Hydrophilic surface: 151.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.