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NCID-ZINC01653009

 MMsINC code: MMs02292111
Type: Neutral
Formula: C24H21N3O3
SMILES:   O(Cc1ccccc1)c1nc(OCc2ccccc2)nc(OCc2ccccc2)n1
InChI:   InChI=1/C24H21N3O3/c1-4-10-19(11-5-1)16-28-22-25-23(29-17-20-12-6-2-7-13-20)27-24(26-22)30-18-21-14-8-3-9-15-21/h1-15H,16-18H2

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Potential Energy
Epot(MMFF94)=28.2612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.45 g/mol  logS: -7.71026  SlogP: 5.4078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821858  Sterimol/B1: 2.32587  Sterimol/B2: 3.61753  Sterimol/B3: 3.61801
  Sterimol/B4: 14.4314  Sterimol/L: 18.0735 
 
 Surface and Volume Properties
  Accessible surface: 747.071  Positive charged surface: 424.816  Negative charged surface: 322.254  Volume: 389.5
  Hydrophobic surface: 640.859  Hydrophilic surface: 106.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.