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ENAMINE-ZINC04165519

 MMsINC code: MMs01532165
Type: Neutral
Formula: C13H25N3O2S
SMILES:   S(CCC(NC(=O)N)C(=O)NCC1CCCCC1)C
InChI:   InChI=1/C13H25N3O2S/c1-19-8-7-11(16-13(14)18)12(17)15-9-10-5-3-2-4-6-10/h10-11H,2-9H2,1H3,(H,15,17)(H3,14,16,18)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=17.6103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.428 g/mol  logS: -3.25091  SlogP: 1.4729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0660039  Sterimol/B1: 2.15271  Sterimol/B2: 3.19096  Sterimol/B3: 4.07147
  Sterimol/B4: 8.29463  Sterimol/L: 15.8996 
 
 Surface and Volume Properties
  Accessible surface: 558.875  Positive charged surface: 409.295  Negative charged surface: 149.58  Volume: 284.5
  Hydrophobic surface: 380.801  Hydrophilic surface: 178.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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: no related molecules available.