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ASINEX-ZINC00753787

 MMsINC code: MMs00156877
Type: Neutral
Formula: C24H30N2O2
SMILES:   O(C)c1cc2c([nH]cc2CCNC(=O)C(C)c2ccc(cc2)CC(C)C)cc1
InChI:   InChI=1/C24H30N2O2/c1-16(2)13-18-5-7-19(8-6-18)17(3)24(27)25-12-11-20-15-26-23-10-9-21(28-4)14-22(20)23/h5-10,14-17,26H,11-13H2,1-4H3,(H,25,27)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.2649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.516 g/mol  logS: -5.98348  SlogP: 4.83734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510507  Sterimol/B1: 2.95041  Sterimol/B2: 4.02338  Sterimol/B3: 5.47881
  Sterimol/B4: 6.98779  Sterimol/L: 20.2791 
 
 Surface and Volume Properties
  Accessible surface: 717.138  Positive charged surface: 496.913  Negative charged surface: 215.661  Volume: 397.625
  Hydrophobic surface: 568.707  Hydrophilic surface: 148.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.