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ASINEX-ZINC01378084

 MMsINC code: MMs00251525
Type: Neutral
Formula: C19H18N2O4S
SMILES:   s1cccc1CN(CC1=Cc2c(NC1=O)cc1OCCOc1c2)C(=O)C
InChI:   InChI=1/C19H18N2O4S/c1-12(22)21(11-15-3-2-6-26-15)10-14-7-13-8-17-18(25-5-4-24-17)9-16(13)20-19(14)23/h2-3,6-9H,4-5,10-11H2,1H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=71.7483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.429 g/mol  logS: -4.12289  SlogP: 3.1699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569886  Sterimol/B1: 2.29386  Sterimol/B2: 2.55874  Sterimol/B3: 5.00825
  Sterimol/B4: 7.33803  Sterimol/L: 17.9572 
 
 Surface and Volume Properties
  Accessible surface: 591.535  Positive charged surface: 367.379  Negative charged surface: 224.156  Volume: 331.25
  Hydrophobic surface: 474.64  Hydrophilic surface: 116.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.