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FDA-ZINC01530967

 MMsINC code: MMs01725596
Type: Neutral
Formula: C23H31NO2
SMILES:   O(C(C(CC(N(C)C)C)(c1ccccc1)c1ccccc1)CC)C(=O)C
InChI:   InChI=1/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=281.852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.506 g/mol  logS: -4.30831  SlogP: 4.6546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.401896  Sterimol/B1: 2.42633  Sterimol/B2: 5.76077  Sterimol/B3: 5.90753
  Sterimol/B4: 7.00103  Sterimol/L: 12.2971 
 
 Surface and Volume Properties
  Accessible surface: 558.127  Positive charged surface: 371.205  Negative charged surface: 186.922  Volume: 365.375
  Hydrophobic surface: 521.602  Hydrophilic surface: 36.525
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01725597
FDA-ZINC01530967