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IBS-ZINC06669467

 MMsINC code: MMs01964816
Type: Neutral
Formula: C18H27N3O5S
SMILES:   s1c2c(CC(OC2)(C)C)c(C(=O)N)c1NC(=O)C(=O)NCCCOC(C)C
InChI:   InChI=1/C18H27N3O5S/c1-10(2)25-7-5-6-20-15(23)16(24)21-17-13(14(19)22)11-8-18(3,4)26-9-12(11)27-17/h10H,5-9H2,1-4H3,(H2,19,22)(H,20,23)(H,21,24)

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Potential Energy
Epot(MMFF94)=87.8344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.496 g/mol  logS: -4.08291  SlogP: 1.83447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0203955  Sterimol/B1: 2.25645  Sterimol/B2: 4.62252  Sterimol/B3: 4.7614
  Sterimol/B4: 5.20553  Sterimol/L: 22.5965 
 
 Surface and Volume Properties
  Accessible surface: 699.274  Positive charged surface: 479.433  Negative charged surface: 219.841  Volume: 368.125
  Hydrophobic surface: 403.99  Hydrophilic surface: 295.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.