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NCID-ZINC03638058

 MMsINC code: MMs02380903
Type: Neutral
Formula: C18H21NO
SMILES:   O(C(c1ccccc1)c1ccccc1)C1CCN(C1)C
InChI:   InChI=1/C18H21NO/c1-19-13-12-17(14-19)20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.372 g/mol  logS: -3.51748  SlogP: 3.5922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168807  Sterimol/B1: 3.76859  Sterimol/B2: 3.96254  Sterimol/B3: 4.60727
  Sterimol/B4: 6.27617  Sterimol/L: 14.2168 
 
 Surface and Volume Properties
  Accessible surface: 527.315  Positive charged surface: 366.889  Negative charged surface: 160.426  Volume: 290.125
  Hydrophobic surface: 521.518  Hydrophilic surface: 5.797
 
 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


MMs02380904
NCID-ZINC03638058