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CHEMDIV-ZINC06747981

 MMsINC code: MMs01010296
Type: Neutral
Formula: C23H28N2O3
SMILES:   o1c2c(cc(C)c(c2)C)c(C)c1C(=O)NCC(N(C)C)c1ccccc1OC
InChI:   InChI=1/C23H28N2O3/c1-14-11-18-16(3)22(28-21(18)12-15(14)2)23(26)24-13-19(25(4)5)17-9-7-8-10-20(17)27-6/h7-12,19H,13H2,1-6H3,(H,24,26)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -5.95374  SlogP: 4.49486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0377993  Sterimol/B1: 3.62455  Sterimol/B2: 4.62057  Sterimol/B3: 4.98981
  Sterimol/B4: 5.15487  Sterimol/L: 19.1785 
 
 Surface and Volume Properties
  Accessible surface: 677.98  Positive charged surface: 484.087  Negative charged surface: 187.919  Volume: 386.125
  Hydrophobic surface: 632.338  Hydrophilic surface: 45.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01010297
CHEMDIV-ZINC06747981