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PUBCHEM-ZINC02046881

 MMsINC code: MMs02865166
Type: Neutral
Formula: C15H24N2O2
SMILES:   O=C1N(C=CC=C1)CC(O)C(N)CC1CCCCC1
InChI:   InChI=1/C15H24N2O2/c16-13(10-12-6-2-1-3-7-12)14(18)11-17-9-5-4-8-15(17)19/h4-5,8-9,12-14,18H,1-3,6-7,10-11,16H2/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=49.5344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -3.07621  SlogP: 1.5571  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0658247  Sterimol/B1: 2.85424  Sterimol/B2: 3.65114  Sterimol/B3: 3.91222
  Sterimol/B4: 4.20423  Sterimol/L: 16.4533 
 
 Surface and Volume Properties
  Accessible surface: 507.44  Positive charged surface: 352.389  Negative charged surface: 155.051  Volume: 274.125
  Hydrophobic surface: 407.09  Hydrophilic surface: 100.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02865167
PUBCHEM-ZINC02046881