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ASINEX-ZINC02689980

 MMsINC code: MMs00276346
Type: Neutral
Formula: C23H30Cl2N2O
SMILES:   Clc1cc2c3cc(Cl)ccc3n(c2cc1)CC(O)CN(CCCC)CCCC
InChI:   InChI=1/C23H30Cl2N2O/c1-3-5-11-26(12-6-4-2)15-19(28)16-27-22-9-7-17(24)13-20(22)21-14-18(25)8-10-23(21)27/h7-10,13-14,19,28H,3-6,11-12,15-16H2,1-2H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.4122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.412 g/mol  logS: -6.6678  SlogP: 6.6308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11017  Sterimol/B1: 2.08523  Sterimol/B2: 3.53518  Sterimol/B3: 5.14198
  Sterimol/B4: 10.5312  Sterimol/L: 16.2353 
 
 Surface and Volume Properties
  Accessible surface: 739.903  Positive charged surface: 412.943  Negative charged surface: 316.12  Volume: 415.875
  Hydrophobic surface: 667.4  Hydrophilic surface: 72.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00276347
ASINEX-ZINC02689980