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CHEMDIV-ZINC04563954

 MMsINC code: MMs00937690
Type: Neutral
Formula: C24H28N2O4
SMILES:   O(C)c1cc2c(cc1OC)C(=O)N1C(CCCC1)C2C(=O)Nc1ccc(cc1)CC
InChI:   InChI=1/C24H28N2O4/c1-4-15-8-10-16(11-9-15)25-23(27)22-17-13-20(29-2)21(30-3)14-18(17)24(28)26-12-6-5-7-19(22)26/h8-11,13-14,19,22H,4-7,12H2,1-3H3,(H,25,27)/t19-,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -5.32393  SlogP: 3.99677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0910973  Sterimol/B1: 3.1339  Sterimol/B2: 4.50784  Sterimol/B3: 6.8611
  Sterimol/B4: 7.13161  Sterimol/L: 17.6369 
 
 Surface and Volume Properties
  Accessible surface: 675.283  Positive charged surface: 508.966  Negative charged surface: 166.317  Volume: 395
  Hydrophobic surface: 577.027  Hydrophilic surface: 98.256
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.