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NCID-ZINC01724375

 MMsINC code: MMs02348375
Type: Neutral
Formula: C15H23NO2
SMILES:   O(C(CCN(C)C)(CC)c1ccccc1)C(=O)C
InChI:   InChI=1/C15H23NO2/c1-5-15(18-13(2)17,11-12-16(3)4)14-9-7-6-8-10-14/h6-10H,5,11-12H2,1-4H3/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.4368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.354 g/mol  logS: -2.40261  SlogP: 3.1182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.296063  Sterimol/B1: 2.44217  Sterimol/B2: 3.65199  Sterimol/B3: 6.04428
  Sterimol/B4: 6.50259  Sterimol/L: 13.2533 
 
 Surface and Volume Properties
  Accessible surface: 491.151  Positive charged surface: 361.375  Negative charged surface: 129.776  Volume: 268
  Hydrophobic surface: 451.409  Hydrophilic surface: 39.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
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Ions/Tautomers related molecules


MMs02348376
NCID-ZINC01724375