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SIAL-ZINC05349577

 MMsINC code: MMs03929922
Type: Neutral
Formula: C16H24N6OS
SMILES:   S(CCCCNC(=O)NC1CCCCC1)c1ncnc2[nH]cnc12
InChI:   InChI=1/C16H24N6OS/c23-16(22-12-6-2-1-3-7-12)17-8-4-5-9-24-15-13-14(19-10-18-13)20-11-21-15/h10-12H,1-9H2,(H2,17,22,23)(H,18,19,20,21)

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Potential Energy
Epot(MMFF94)=5.50476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.475 g/mol  logS: -4.69307  SlogP: 2.8571  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0172425  Sterimol/B1: 2.2609  Sterimol/B2: 2.90147  Sterimol/B3: 3.50678
  Sterimol/B4: 6.07214  Sterimol/L: 22.3954 
 
 Surface and Volume Properties
  Accessible surface: 644.694  Positive charged surface: 512.757  Negative charged surface: 131.937  Volume: 329.5
  Hydrophobic surface: 438.501  Hydrophilic surface: 206.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.