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ENAMINE-ZINC03259306

 MMsINC code: MMs01335695
Type: Neutral
Formula: C10H18N2S
SMILES:   S1CCN=C1NC1CCCCC1C
InChI:   InChI=1/C10H18N2S/c1-8-4-2-3-5-9(8)12-10-11-6-7-13-10/h8-9H,2-7H2,1H3,(H,11,12)/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=6.49911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.334 g/mol  logS: -2.72747  SlogP: 2.2575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100739  Sterimol/B1: 2.15115  Sterimol/B2: 2.88968  Sterimol/B3: 3.46548
  Sterimol/B4: 6.73809  Sterimol/L: 11.9475 
 
 Surface and Volume Properties
  Accessible surface: 411.022  Positive charged surface: 315.68  Negative charged surface: 95.3425  Volume: 205.25
  Hydrophobic surface: 322.363  Hydrophilic surface: 88.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.