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ENAMINE-ZINC06860475

 MMsINC code: MMs01707277
Type: Neutral
Formula: C24H32N2O3S
SMILES:   S(=O)(=O)(N1CCC(CC1)C(=O)NC(C)c1ccccc1)c1c(C)c(cc(C)c1C)C
InChI:   InChI=1/C24H32N2O3S/c1-16-15-17(2)19(4)23(18(16)3)30(28,29)26-13-11-22(12-14-26)24(27)25-20(5)21-9-7-6-8-10-21/h6-10,15,20,22H,11-14H2,1-5H3,(H,25,27)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.597 g/mol  logS: -5.14376  SlogP: 4.29388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164729  Sterimol/B1: 2.30747  Sterimol/B2: 5.46662  Sterimol/B3: 5.69955
  Sterimol/B4: 7.57368  Sterimol/L: 16.7987 
 
 Surface and Volume Properties
  Accessible surface: 693.208  Positive charged surface: 423.863  Negative charged surface: 269.345  Volume: 419.375
  Hydrophobic surface: 601.145  Hydrophilic surface: 92.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.