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ENAMINE-ZINC00029560

 MMsINC code: MMs01221977
Type: Neutral
Formula: C11H10N2OS
SMILES:   s1ccnc1NC(=O)c1ccc(cc1)C
InChI:   InChI=1/C11H10N2OS/c1-8-2-4-9(5-3-8)10(14)13-11-12-6-7-15-11/h2-7H,1H3,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=44.7139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.28 g/mol  logS: -3.30016  SlogP: 2.70382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00471363  Sterimol/B1: 2.18192  Sterimol/B2: 2.51227  Sterimol/B3: 3.32267
  Sterimol/B4: 4.26678  Sterimol/L: 14.6551 
 
 Surface and Volume Properties
  Accessible surface: 423.498  Positive charged surface: 232.611  Negative charged surface: 190.887  Volume: 203.125
  Hydrophobic surface: 351.957  Hydrophilic surface: 71.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.