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PUBCHEM-ZINC03603619

 MMsINC code: MMs03019735
Type: Neutral
Formula: C16H29ClN2O
SMILES:   ClCCNC(=O)NC1CCC(CC1)CC1CCCCC1
InChI:   InChI=1/C16H29ClN2O/c17-10-11-18-16(20)19-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h13-15H,1-12H2,(H2,18,19,20)/t14-,15-

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Potential Energy
Epot(MMFF94)=3.50629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.874 g/mol  logS: -5.34525  SlogP: 4.0536  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0590363  Sterimol/B1: 2.61242  Sterimol/B2: 3.27197  Sterimol/B3: 4.12541
  Sterimol/B4: 5.6761  Sterimol/L: 19.0139 
 
 Surface and Volume Properties
  Accessible surface: 580.775  Positive charged surface: 425.934  Negative charged surface: 154.841  Volume: 309
  Hydrophobic surface: 442.926  Hydrophilic surface: 137.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.