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PUBCHEM-ZINC06933733

 MMsINC code: MMs03906894
Type: Neutral
Formula: C23H25N3O3
SMILES:   O(CC)c1ccccc1NC(=O)N1CCn2c(ccc2)C1c1ccccc1OC
InChI:   InChI=1/C23H25N3O3/c1-3-29-21-13-7-5-10-18(21)24-23(27)26-16-15-25-14-8-11-19(25)22(26)17-9-4-6-12-20(17)28-2/h4-14,22H,3,15-16H2,1-2H3,(H,24,27)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.471 g/mol  logS: -3.92496  SlogP: 4.8944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118884  Sterimol/B1: 4.40593  Sterimol/B2: 4.62557  Sterimol/B3: 4.73974
  Sterimol/B4: 8.04472  Sterimol/L: 15.3211 
 
 Surface and Volume Properties
  Accessible surface: 666.437  Positive charged surface: 472.405  Negative charged surface: 194.032  Volume: 383.25
  Hydrophobic surface: 605.035  Hydrophilic surface: 61.402
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.