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NCID-ZINC01652492

 MMsINC code: MMs02291711
Type: Neutral
Formula: C24H28N2O3
SMILES:   O1CCN(CC1)CCn1c-2c(CCc3cc(OC)ccc-23)c2cc(OC)ccc12
InChI:   InChI=1/C24H28N2O3/c1-27-18-4-7-20-17(15-18)3-6-21-22-16-19(28-2)5-8-23(22)26(24(20)21)10-9-25-11-13-29-14-12-25/h4-5,7-8,15-16H,3,6,9-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.136 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: 0.0549267  Sterimol/B1: 3.0157  Sterimol/B2: 3.65875  Sterimol/B3: 4.06631
  Sterimol/B4: 9.95302  Sterimol/L: 17.9187 
 
 Surface and Volume Properties
  Accessible surface: 674.182  Positive charged surface: 529.619  Negative charged surface: 139.042  Volume: 392.625
  Hydrophobic surface: 633.944  Hydrophilic surface: 40.238
 
 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


MMs02291712
NCID-ZINC01652492