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PUBCHEM-ZINC01845261

 MMsINC code: MMs02823695
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.4648 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: 0.151888  Sterimol/B1: 2.51034  Sterimol/B2: 3.54095  Sterimol/B3: 4.51777
  Sterimol/B4: 4.5207  Sterimol/L: 11.2027 
 
 Surface and Volume Properties
  Accessible surface: 364.136  Positive charged surface: 226.974  Negative charged surface: 137.162  Volume: 174.125
  Hydrophobic surface: 312.087  Hydrophilic surface: 52.049
 
 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.