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CHEMDIV-ZINC04862819

 MMsINC code: MMs00958725
Type: Neutral
Formula: C9H17NO2
SMILES:   O(C(=O)C1NC(CCC1)C)CC
InChI:   InChI=1/C9H17NO2/c1-3-12-9(11)8-6-4-5-7(2)10-8/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=21.6195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.24 g/mol  logS: -1.17422  SlogP: 1.0801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706166  Sterimol/B1: 2.63784  Sterimol/B2: 3.38242  Sterimol/B3: 4.06601
  Sterimol/B4: 4.19045  Sterimol/L: 13.1803 
 
 Surface and Volume Properties
  Accessible surface: 400.717  Positive charged surface: 304.347  Negative charged surface: 96.3703  Volume: 181.375
  Hydrophobic surface: 306.82  Hydrophilic surface: 93.897
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00958726
CHEMDIV-ZINC04862819