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NCID-ZINC01650371

 MMsINC code: MMs02290080
Type: Ionized
Formula: C11H24N3O2+
SMILES:   O=C(NCCCC[NH2+]CCCNC(=O)C)C
InChI:   InChI=1/C11H23N3O2/c1-10(15)13-8-4-3-6-12-7-5-9-14-11(2)16/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16)/p+1

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Potential Energy
Epot(MMFF94)=-5.77194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.332 g/mol  logS: -0.29826  SlogP: -1.0077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148766  Sterimol/B1: 2.38815  Sterimol/B2: 2.50097  Sterimol/B3: 3.10646
  Sterimol/B4: 3.84694  Sterimol/L: 20.7232 
 
 Surface and Volume Properties
  Accessible surface: 545.542  Positive charged surface: 420.746  Negative charged surface: 124.797  Volume: 250
  Hydrophobic surface: 393.393  Hydrophilic surface: 152.149
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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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Parent related molecule:


MMs02290079
NCID-ZINC01650371