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CHEMDIV-ZINC07001170

 MMsINC code: MMs01069533
Type: Neutral
Formula: C20H23N3O2S
SMILES:   s1cc(cc1)CCNC(=O)NC=1c2c(cccc2)C(=O)N(C=1)CC(C)C
InChI:   InChI=1/C20H23N3O2S/c1-14(2)11-23-12-18(16-5-3-4-6-17(16)19(23)24)22-20(25)21-9-7-15-8-10-26-13-15/h3-6,8,10,12-14H,7,9,11H2,1-2H3,(H2,21,22,25)

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Potential Energy
Epot(MMFF94)=72.5064 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.489 g/mol  logS: -4.1132  SlogP: 3.70017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0343609  Sterimol/B1: 2.52431  Sterimol/B2: 4.46974  Sterimol/B3: 4.78726
  Sterimol/B4: 7.03311  Sterimol/L: 18.6428 
 
 Surface and Volume Properties
  Accessible surface: 644.603  Positive charged surface: 390.219  Negative charged surface: 254.384  Volume: 358.25
  Hydrophobic surface: 525.673  Hydrophilic surface: 118.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.