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CHEMBRIDGE-ZINC04819614

 MMsINC code: MMs00791632
Type: Neutral
Formula: C14H24N2O3
SMILES:   O1CCCC1CNC(=O)C(=O)NC1CCCCCC1
InChI:   InChI=1/C14H24N2O3/c17-13(15-10-12-8-5-9-19-12)14(18)16-11-6-3-1-2-4-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=59.8476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.357 g/mol  logS: -2.61706  SlogP: 1.1206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0585289  Sterimol/B1: 2.86569  Sterimol/B2: 3.27648  Sterimol/B3: 4.20767
  Sterimol/B4: 4.91322  Sterimol/L: 17.1081 
 
 Surface and Volume Properties
  Accessible surface: 532.442  Positive charged surface: 411.761  Negative charged surface: 120.681  Volume: 269.375
  Hydrophobic surface: 430.445  Hydrophilic surface: 101.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.