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NANOSIN-ZINC00225898

 MMsINC code: MMs02190867
Type: Neutral
Formula: C18H18N3PS
SMILES:   S=P(Nc1ccccc1)(Nc1ccccc1)Nc1ccccc1
InChI:   InChI=1/C18H18N3PS/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,(H3,19,20,21,23)

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Potential Energy
Epot(MMFF94)=72.1055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.403 g/mol  logS: -4.91899  SlogP: 5.5472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207439  Sterimol/B1: 2.52447  Sterimol/B2: 3.71416  Sterimol/B3: 4.25038
  Sterimol/B4: 9.20251  Sterimol/L: 15.1727 
 
 Surface and Volume Properties
  Accessible surface: 570.137  Positive charged surface: 293.657  Negative charged surface: 276.48  Volume: 322.25
  Hydrophobic surface: 491.508  Hydrophilic surface: 78.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.