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NCID-ZINC01580206

 MMsINC code: MMs02237854
Type: Neutral
Formula: C15H17NO
SMILES:   O(C)c1ccc(cc1)C(N)Cc1ccccc1
InChI:   InChI=1/C15H17NO/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10,15H,11,16H2,1H3/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.7895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.307 g/mol  logS: -2.92955  SlogP: 3.03317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417723  Sterimol/B1: 2.4024  Sterimol/B2: 3.22231  Sterimol/B3: 4.11076
  Sterimol/B4: 4.60515  Sterimol/L: 16.3088 
 
 Surface and Volume Properties
  Accessible surface: 481.013  Positive charged surface: 314.701  Negative charged surface: 166.312  Volume: 242.5
  Hydrophobic surface: 427.306  Hydrophilic surface: 53.707
 
 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


MMs02237855
NCID-ZINC01580206