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ENAMINE-ZINC03371666

 MMsINC code: MMs01402207
Type: Neutral
Formula: C15H15N3O3S
SMILES:   s1c2c(nc1CN1C(=O)C(=O)N(CCCC)C1=O)cccc2
InChI:   InChI=1/C15H15N3O3S/c1-2-3-8-17-13(19)14(20)18(15(17)21)9-12-16-10-6-4-5-7-11(10)22-12/h4-7H,2-3,8-9H2,1H3

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Potential Energy
Epot(MMFF94)=7.90865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.369 g/mol  logS: -3.64484  SlogP: 2.6536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577111  Sterimol/B1: 3.53662  Sterimol/B2: 3.57921  Sterimol/B3: 4.18948
  Sterimol/B4: 5.99578  Sterimol/L: 17.3864 
 
 Surface and Volume Properties
  Accessible surface: 549.261  Positive charged surface: 320.65  Negative charged surface: 228.611  Volume: 282.125
  Hydrophobic surface: 388.949  Hydrophilic surface: 160.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.