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NCID-ZINC05551469

 MMsINC code: MMs02474298
Type: Neutral
Formula: C18H21NO
SMILES:   OC1(CCCN(C1)Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C18H21NO/c20-18(17-10-5-2-6-11-17)12-7-13-19(15-18)14-16-8-3-1-4-9-16/h1-6,8-11,20H,7,12-15H2/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.4918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.372 g/mol  logS: -3.37407  SlogP: 3.7481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111391  Sterimol/B1: 3.35669  Sterimol/B2: 3.56591  Sterimol/B3: 4.03552
  Sterimol/B4: 4.63496  Sterimol/L: 16.2891 
 
 Surface and Volume Properties
  Accessible surface: 517.818  Positive charged surface: 323.753  Negative charged surface: 194.065  Volume: 281.125
  Hydrophobic surface: 483.587  Hydrophilic surface: 34.231
 
 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


MMs02474299
NCID-ZINC05551469