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NCID-ZINC01615789

 MMsINC code: MMs02265387
Type: Neutral
Formula: C24H31NO
SMILES:   OC(Cc1ccccc1)(CCN1CC2CCC(CC2)C1)c1ccccc1
InChI:   InChI=1/C24H31NO/c26-24(23-9-5-2-6-10-23,17-20-7-3-1-4-8-20)15-16-25-18-21-11-12-22(19-25)14-13-21/h1-10,21-22,26H,11-19H2/t21-,22+,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.518 g/mol  logS: -4.34235  SlogP: 4.94047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0909638  Sterimol/B1: 3.63451  Sterimol/B2: 3.92678  Sterimol/B3: 3.95304
  Sterimol/B4: 6.85178  Sterimol/L: 16.9173 
 
 Surface and Volume Properties
  Accessible surface: 606.98  Positive charged surface: 433.199  Negative charged surface: 173.78  Volume: 371.625
  Hydrophobic surface: 583.309  Hydrophilic surface: 23.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0
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Ions/Tautomers related molecules


MMs02265388
NCID-ZINC01615789