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PUBCHEM-ZINC00671183

 MMsINC code: MMs02724501
Type: Neutral
Formula: C19H30N2O2S
SMILES:   s1c2CC(CCc2c(C(=O)N)c1NC(=O)CC(C)C)C(CC)(C)C
InChI:   InChI=1/C19H30N2O2S/c1-6-19(4,5)12-7-8-13-14(10-12)24-18(16(13)17(20)23)21-15(22)9-11(2)3/h11-12H,6-10H2,1-5H3,(H2,20,23)(H,21,22)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=88.2656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.527 g/mol  logS: -6.70858  SlogP: 4.37264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0400143  Sterimol/B1: 2.49946  Sterimol/B2: 3.30351  Sterimol/B3: 3.67487
  Sterimol/B4: 8.77888  Sterimol/L: 17.7453 
 
 Surface and Volume Properties
  Accessible surface: 621.54  Positive charged surface: 428.611  Negative charged surface: 192.928  Volume: 352.875
  Hydrophobic surface: 405.377  Hydrophilic surface: 216.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.