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ASINEX-ZINC01350936

 MMsINC code: MMs00242909
Type: Neutral
Formula: C15H23N3OS
SMILES:   s1ccnc1N1CCC(CC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C15H23N3OS/c19-14(17-13-4-2-1-3-5-13)12-6-9-18(10-7-12)15-16-8-11-20-15/h8,11-13H,1-7,9-10H2,(H,17,19)

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Potential Energy
Epot(MMFF94)=56.6094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.435 g/mol  logS: -2.73623  SlogP: 2.8084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557735  Sterimol/B1: 3.56966  Sterimol/B2: 3.99903  Sterimol/B3: 4.00667
  Sterimol/B4: 4.11788  Sterimol/L: 17.826 
 
 Surface and Volume Properties
  Accessible surface: 545.495  Positive charged surface: 403.81  Negative charged surface: 141.685  Volume: 287.25
  Hydrophobic surface: 486.191  Hydrophilic surface: 59.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.