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CHEMDIV-ZINC06819620

 MMsINC code: MMs01043146
Type: Neutral
Formula: C23H25N3O4
SMILES:   O1Cc2c(n(nc2)CC(=O)N(CC)c2cc(OC)ccc2OC)-c2cc(ccc12)C
InChI:   InChI=1/C23H25N3O4/c1-5-25(19-11-17(28-3)7-9-21(19)29-4)22(27)13-26-23-16(12-24-26)14-30-20-8-6-15(2)10-18(20)23/h6-12H,5,13-14H2,1-4H3

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Potential Energy
Epot(MMFF94)=146.42 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.47 g/mol  logS: -5.07522  SlogP: 4.35402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164423  Sterimol/B1: 2.51952  Sterimol/B2: 4.32876  Sterimol/B3: 6.64081
  Sterimol/B4: 7.65594  Sterimol/L: 16.4468 
 
 Surface and Volume Properties
  Accessible surface: 637.561  Positive charged surface: 463.215  Negative charged surface: 174.345  Volume: 393.25
  Hydrophobic surface: 544.726  Hydrophilic surface: 92.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.