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LOPAC-ZINC03870795

 MMsINC code: MMs02125907
Type: Neutral
Formula: C10H21NO
SMILES:   OC(CN)C1CCCCCCC1
InChI:   InChI=1/C10H21NO/c11-8-10(12)9-6-4-2-1-3-5-7-9/h9-10,12H,1-8,11H2/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=87.6583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -2.28417  SlogP: 1.6665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155824  Sterimol/B1: 2.9602  Sterimol/B2: 3.2598  Sterimol/B3: 3.35496
  Sterimol/B4: 4.71368  Sterimol/L: 11.3335 
 
 Surface and Volume Properties
  Accessible surface: 375.946  Positive charged surface: 295.388  Negative charged surface: 80.5582  Volume: 190.375
  Hydrophobic surface: 274.681  Hydrophilic surface: 101.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02125908
LOPAC-ZINC03870795