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PUBCHEM-ZINC00396342

 MMsINC code: MMs02673450
Type: Neutral
Formula: C10H14N2O2
SMILES:   O(C)c1cc(NC(=O)NCC)ccc1
InChI:   InChI=1/C10H14N2O2/c1-3-11-10(13)12-8-5-4-6-9(7-8)14-2/h4-7H,3H2,1-2H3,(H2,11,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.3996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.234 g/mol  logS: -1.80578  SlogP: 1.8366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210214  Sterimol/B1: 2.56796  Sterimol/B2: 2.95484  Sterimol/B3: 3.82109
  Sterimol/B4: 4.9925  Sterimol/L: 13.9374 
 
 Surface and Volume Properties
  Accessible surface: 432.592  Positive charged surface: 314.255  Negative charged surface: 118.337  Volume: 195.375
  Hydrophobic surface: 331.552  Hydrophilic surface: 101.04
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.