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NCID-ZINC01667017

 MMsINC code: MMs02303127
Type: Neutral
Formula: C18H23NO
SMILES:   O(C)c1ccc(cc1)C(NC(C)C)Cc1ccccc1
InChI:   InChI=1/C18H23NO/c1-14(2)19-18(13-15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16/h4-12,14,18-19H,13H2,1-3H3/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.388 g/mol  logS: -3.65955  SlogP: 4.07247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128137  Sterimol/B1: 2.33337  Sterimol/B2: 3.72739  Sterimol/B3: 3.96475
  Sterimol/B4: 7.08036  Sterimol/L: 16.303 
 
 Surface and Volume Properties
  Accessible surface: 538.173  Positive charged surface: 365.238  Negative charged surface: 172.935  Volume: 298.125
  Hydrophobic surface: 489.013  Hydrophilic surface: 49.16
 
 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: 1
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Ions/Tautomers related molecules


MMs02303128
NCID-ZINC01667017