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CHEMDIV-ZINC04961837

 MMsINC code: MMs00974690
Type: Neutral
Formula: C20H23N3O3
SMILES:   O1c2c(cc(cc2)C)-c2n(ncc2C1=O)CC(=O)N1C(CCCC1C)C
InChI:   InChI=1/C20H23N3O3/c1-12-7-8-17-15(9-12)19-16(20(25)26-17)10-21-22(19)11-18(24)23-13(2)5-4-6-14(23)3/h7-10,13-14H,4-6,11H2,1-3H3/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=114.346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.422 g/mol  logS: -4.93948  SlogP: 3.44702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164588  Sterimol/B1: 2.36238  Sterimol/B2: 3.32942  Sterimol/B3: 5.33195
  Sterimol/B4: 9.38136  Sterimol/L: 13.7465 
 
 Surface and Volume Properties
  Accessible surface: 566.529  Positive charged surface: 358.968  Negative charged surface: 207.561  Volume: 339.75
  Hydrophobic surface: 429.542  Hydrophilic surface: 136.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.