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NCID-ZINC01675309

 MMsINC code: MMs02310641
Type: Neutral
Formula: C11H19N5O2S
SMILES:   S=C(NC=1C(=O)N(C)C(=O)N(C)C=1N)NCCCC
InChI:   InChI=1/C11H19N5O2S/c1-4-5-6-13-10(19)14-7-8(12)15(2)11(18)16(3)9(7)17/h4-6,12H2,1-3H3,(H2,13,14,19)

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Potential Energy
Epot(MMFF94)=40.1851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.372 g/mol  logS: -2.58737  SlogP: -0.0978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324937  Sterimol/B1: 2.84568  Sterimol/B2: 3.74067  Sterimol/B3: 4.36014
  Sterimol/B4: 5.10635  Sterimol/L: 16.3124 
 
 Surface and Volume Properties
  Accessible surface: 523.443  Positive charged surface: 393.325  Negative charged surface: 130.118  Volume: 263.75
  Hydrophobic surface: 305.024  Hydrophilic surface: 218.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.