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CHEMDIV-ZINC04116918

 MMsINC code: MMs00927690
Type: Neutral
Formula: C24H23N3O
SMILES:   O1c2c(C3N(N=C(C3)c3ccccc3)C1c1ccc(N(C)C)cc1)cccc2
InChI:   InChI=1/C24H23N3O/c1-26(2)19-14-12-18(13-15-19)24-27-22(20-10-6-7-11-23(20)28-24)16-21(25-27)17-8-4-3-5-9-17/h3-15,22,24H,16H2,1-2H3/t22-,24+/m0/s1

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Potential Energy
Epot(MMFF94)=135.908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.468 g/mol  logS: -5.13135  SlogP: 5.1859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965176  Sterimol/B1: 2.32633  Sterimol/B2: 2.49934  Sterimol/B3: 5.43132
  Sterimol/B4: 10.2224  Sterimol/L: 17.9094 
 
 Surface and Volume Properties
  Accessible surface: 649.644  Positive charged surface: 430.726  Negative charged surface: 218.918  Volume: 373.875
  Hydrophobic surface: 624.973  Hydrophilic surface: 24.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.