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NCID-ZINC01761791

 MMsINC code: MMs02367740
Type: Neutral
Formula: C24H35NO2
SMILES:   O(CCOc1ccc(cc1)C(N)C)c1ccc(cc1)C(CC(C)(C)C)(C)C
InChI:   InChI=1/C24H35NO2/c1-18(25)19-7-11-21(12-8-19)26-15-16-27-22-13-9-20(10-14-22)24(5,6)17-23(2,3)4/h7-14,18H,15-17,25H2,1-6H3/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=208.793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.549 g/mol  logS: -7.35257  SlogP: 5.9734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03016  Sterimol/B1: 2.79401  Sterimol/B2: 2.91142  Sterimol/B3: 4.48771
  Sterimol/B4: 5.22016  Sterimol/L: 22.1127 
 
 Surface and Volume Properties
  Accessible surface: 695.761  Positive charged surface: 469.123  Negative charged surface: 226.638  Volume: 398.375
  Hydrophobic surface: 536.394  Hydrophilic surface: 159.367
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02367741
NCID-ZINC01761791