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ENAMINE-ZINC03384792

 MMsINC code: MMs01409658
Type: Neutral
Formula: C24H26N4O5S
SMILES:   S(=O)(=O)(N1CCN(CC1)C(=O)CN1C(=O)C2(NC1=O)CCc1c(C2)cccc1)c1c
cccc1
InChI:   InChI=1/C24H26N4O5S/c29-21(26-12-14-27(15-13-26)34(32,33)20-8-2-1-3-9-20)17-28-22(30)24(25-23(28)31)11-10-18-6-4-5-7-19(18)16-24/h1-9H,10-17H2,(H,25,31)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.9406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.561 g/mol  logS: -4.17282  SlogP: 0.99894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611062  Sterimol/B1: 2.34844  Sterimol/B2: 4.02268  Sterimol/B3: 5.09638
  Sterimol/B4: 6.65062  Sterimol/L: 21.3599 
 
 Surface and Volume Properties
  Accessible surface: 731.754  Positive charged surface: 434.748  Negative charged surface: 297.006  Volume: 430.5
  Hydrophobic surface: 567.421  Hydrophilic surface: 164.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.