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PUBCHEM-ZINC02019968

 MMsINC code: MMs02855514
Type: Neutral
Formula: C23H33NO2
SMILES:   O(C(c1c(cccc1C)C)c1c(cccc1C)C)CC(O)CNC(C)C
InChI:   InChI=1/C23H33NO2/c1-15(2)24-13-20(25)14-26-23(21-16(3)9-7-10-17(21)4)22-18(5)11-8-12-19(22)6/h7-12,15,20,23-25H,13-14H2,1-6H3/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=173.281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.522 g/mol  logS: -5.38348  SlogP: 4.48068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120153  Sterimol/B1: 2.34088  Sterimol/B2: 5.75828  Sterimol/B3: 6.24754
  Sterimol/B4: 6.62923  Sterimol/L: 16.5112 
 
 Surface and Volume Properties
  Accessible surface: 637.366  Positive charged surface: 419.111  Negative charged surface: 218.254  Volume: 383.625
  Hydrophobic surface: 555.283  Hydrophilic surface: 82.083
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02855515
PUBCHEM-ZINC02019968