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PUBCHEM-ZINC01652490

 MMsINC code: MMs02817837
Type: Neutral
Formula: C24H28N2O3
SMILES:   O1CCN(CC1)CCn1c2-c3cc(OC)ccc3CCc2c2cc(OC)ccc12
InChI:   InChI=1/C24H28N2O3/c1-27-18-5-3-17-4-7-20-22-16-19(28-2)6-8-23(22)26(24(20)21(17)15-18)10-9-25-11-13-29-14-12-25/h3,5-6,8,15-16H,4,7,9-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.499 g/mol  logS: -4.78645  SlogP: 4.02264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0552921  Sterimol/B1: 3.23929  Sterimol/B2: 3.43419  Sterimol/B3: 6.06524
  Sterimol/B4: 7.79766  Sterimol/L: 17.4303 
 
 Surface and Volume Properties
  Accessible surface: 660.545  Positive charged surface: 525.353  Negative charged surface: 129.627  Volume: 390.75
  Hydrophobic surface: 624.761  Hydrophilic surface: 35.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02817838
PUBCHEM-ZINC01652490