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ASINEX-ZINC01348480

 MMsINC code: MMs00242350
Type: Neutral
Formula: C24H32N6O2
SMILES:   O(C)c1ccccc1N1CCN(CC1)C(C(C)C)c1nnnn1Cc1ccc(OC)cc1
InChI:   InChI=1/C24H32N6O2/c1-18(2)23(24-25-26-27-30(24)17-19-9-11-20(31-3)12-10-19)29-15-13-28(14-16-29)21-7-5-6-8-22(21)32-4/h5-12,18,23H,13-17H2,1-4H3/t23-/m0/s1

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Potential Energy
Epot(MMFF94)=192.179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.56 g/mol  logS: -3.40274  SlogP: 3.6198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123571  Sterimol/B1: 2.50606  Sterimol/B2: 4.37284  Sterimol/B3: 4.43543
  Sterimol/B4: 12.3797  Sterimol/L: 15.9272 
 
 Surface and Volume Properties
  Accessible surface: 717.941  Positive charged surface: 501.551  Negative charged surface: 183.882  Volume: 433.375
  Hydrophobic surface: 624.148  Hydrophilic surface: 93.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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


MMs00242351
ASINEX-ZINC01348480