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ASINEX-ZINC01361100

 MMsINC code: MMs00246368
Type: Neutral
Formula: C24H23N3OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccc1
InChI:   InChI=1/C24H23N3OS/c28-24(26-14-12-25(13-15-26)20-9-5-2-6-10-20)22-17-23-21(11-16-29-23)27(22)18-19-7-3-1-4-8-19/h1-11,16-17H,12-15,18H2

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Potential Energy
Epot(MMFF94)=166.808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.534 g/mol  logS: -5.02289  SlogP: 4.9799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143046  Sterimol/B1: 2.3641  Sterimol/B2: 3.34041  Sterimol/B3: 5.61808
  Sterimol/B4: 9.57686  Sterimol/L: 16.4472 
 
 Surface and Volume Properties
  Accessible surface: 646.459  Positive charged surface: 364.712  Negative charged surface: 281.747  Volume: 389.125
  Hydrophobic surface: 599.555  Hydrophilic surface: 46.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.