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NCID-ZINC01690255

 MMsINC code: MMs02322579
Type: Neutral
Formula: C10H13NO
SMILES:   O=C(CCN)c1ccc(cc1)C
InChI:   InChI=1/C10H13NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6-7,11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.1908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.22 g/mol  logS: -1.73699  SlogP: 1.52652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204685  Sterimol/B1: 2.48075  Sterimol/B2: 2.51378  Sterimol/B3: 3.19387
  Sterimol/B4: 4.49431  Sterimol/L: 13.3199 
 
 Surface and Volume Properties
  Accessible surface: 386.158  Positive charged surface: 253.323  Negative charged surface: 132.835  Volume: 172.875
  Hydrophobic surface: 286.288  Hydrophilic surface: 99.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02322580
NCID-ZINC01690255