MMsINC Database Search


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MMsINC code: MMs03098821

Type: Neutral
Formula: C₆H₁₁NO₂

SMILES:

O(C(=O)C1(N)CCC1)C

InChI:

InChI=1/C6H11NO2/c1-9-5(8)6(7)3-2-4-6/h2-4,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.1429 kcal/mol

Physical Properties
Molecular Weight: 129.159 g/mol	logS: -0.44422	SlogP: 0.0408	Reactive groups: 0

Topological Properties
Globularity: 0.155861	Sterimol/B1: 3.17318	Sterimol/B2: 3.1944	Sterimol/B3: 3.43369
Sterimol/B4: 3.68885	Sterimol/L: 10.0944

Surface and Volume Properties
Accessible surface: 316.413	Positive charged surface: 136.094	Negative charged surface: 38.174	Volume: 130.875
Hydrophobic surface: 234.707	Hydrophilic surface: 81.706

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.