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ENAMINE-ZINC03531291

 MMsINC code: MMs01493880
Type: Neutral
Formula: C15H23N3O5S
SMILES:   S1(=O)(=O)CC(NC(=O)CN2C(=O)C(NC2=O)C2CCCCC2)CC1
InChI:   InChI=1/C15H23N3O5S/c19-12(16-11-6-7-24(22,23)9-11)8-18-14(20)13(17-15(18)21)10-4-2-1-3-5-10/h10-11,13H,1-9H2,(H,16,19)(H,17,21)/t11-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=15.0976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.431 g/mol  logS: -2.84321  SlogP: -0.2096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778599  Sterimol/B1: 2.48295  Sterimol/B2: 3.73287  Sterimol/B3: 4.19904
  Sterimol/B4: 6.87165  Sterimol/L: 16.0537 
 
 Surface and Volume Properties
  Accessible surface: 575.722  Positive charged surface: 380.275  Negative charged surface: 195.447  Volume: 311.5
  Hydrophobic surface: 366.446  Hydrophilic surface: 209.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.