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IBS-ZINC02222639

 MMsINC code: MMs01807525
Type: Ionized
Formula: C11H21N2O3-
SMILES:   O=C([O-])C(NC(=O)NCCCC)C(CC)C
InChI:   InChI=1/C11H22N2O3/c1-4-6-7-12-11(16)13-9(10(14)15)8(3)5-2/h8-9H,4-7H2,1-3H3,(H,14,15)(H2,12,13,16)/p-1/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=-5.64894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.3 g/mol  logS: -2.15079  SlogP: 0.2503  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0768249  Sterimol/B1: 3.03086  Sterimol/B2: 4.05535  Sterimol/B3: 4.56881
  Sterimol/B4: 5.37435  Sterimol/L: 14.8945 
 
 Surface and Volume Properties
  Accessible surface: 491.113  Positive charged surface: 336.957  Negative charged surface: 154.156  Volume: 237.5
  Hydrophobic surface: 303.115  Hydrophilic surface: 187.998
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs01807524
IBS-ZINC02222639