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CHEMSTAR-ZINC04044213

 MMsINC code: MMs01089148
Type: Neutral
Formula: C34H34N2O4
SMILES:   Oc1c2c(C(=O)c3c(C2=O)c(Nc2ccc(cc2)CCCC)ccc3Nc2ccc(cc2)CCCC)c
(O)cc1
InChI:   InChI=1/C34H34N2O4/c1-3-5-7-21-9-13-23(14-10-21)35-25-17-18-26(36-24-15-11-22(12-16-24)8-6-4-2)30-29(25)33(39)31-27(37)19-20-28(38)32(31)34(30)40/h9-20,35-38H,3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=174.634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 534.656 g/mol  logS: -10.4409  SlogP: 8.04554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.05898  Sterimol/B1: 4.23651  Sterimol/B2: 4.62342  Sterimol/B3: 5.20682
  Sterimol/B4: 10.2266  Sterimol/L: 23.2362 
 
 Surface and Volume Properties
  Accessible surface: 890.297  Positive charged surface: 594.861  Negative charged surface: 295.436  Volume: 528.125
  Hydrophobic surface: 697.254  Hydrophilic surface: 193.043
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.