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PUBCHEM-ZINC01845263

 MMsINC code: MMs02823696
Type: Neutral
Formula: C10H13NO
SMILES:   OC(C1N(C1)C)c1ccccc1
InChI:   InChI=1/C10H13NO/c1-11-7-9(11)10(12)8-5-3-2-4-6-8/h2-6,9-10,12H,7H2,1H3/t9-,10+,11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.22 g/mol  logS: -1.20263  SlogP: 1.1295  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0855112  Sterimol/B1: 2.4839  Sterimol/B2: 3.05133  Sterimol/B3: 3.23329
  Sterimol/B4: 5.11747  Sterimol/L: 10.8984 
 
 Surface and Volume Properties
  Accessible surface: 361.997  Positive charged surface: 220.626  Negative charged surface: 141.371  Volume: 173.5
  Hydrophobic surface: 312.715  Hydrophilic surface: 49.282
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.