PUBCHEM-ZINC03619367

MMsINC code: MMs03023761

• Type: Neutral
• Formula: C₁₀H₁₉NO₂
• SMILES: O(C(=O)CCCN1CCCC1)CC
• InChI: InChI=1/C10H19NO2/c1-2-13-10(12)6-5-9-11-7-3-4-8-11/h2-9H2,1H3

Potential Energy
Epot(MMFF94)=10.0762 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 185.267 g/mol
• logS: -0.85988
• SlogP: 1.4255
• Reactive groups: 1

Topological Properties

• Globularity: 0.0369678
• Sterimol/B1: 2.70891
• Sterimol/B2: 3.10982
• Sterimol/B3: 3.2599
• Sterimol/B4: 3.52842
• Sterimol/L: 15.5334

Surface and Volume Properties

• Accessible surface: 438.453
• Positive charged surface: 353.538
• Negative charged surface: 84.9147
• Volume: 201
• Hydrophobic surface: 372.203
• Hydrophilic surface: 66.25

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 2
• Acid groups: 0
• Basic groups: 0
• 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