MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02863772

Type: Neutral
Formula: C₇H₁₃NO₂

SMILES:

OC(=O)C(N)C1CCCC1

InChI:

InChI=1/C7H13NO2/c8-6(7(9)10)5-3-1-2-4-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.3082 kcal/mol

Physical Properties
Molecular Weight: 143.186 g/mol	logS: -0.93689	SlogP: 0.5885	Reactive groups: 0

Topological Properties
Globularity: 0.260038	Sterimol/B1: 2.22729	Sterimol/B2: 2.98389	Sterimol/B3: 3.45116
Sterimol/B4: 4.61406	Sterimol/L: 9.7672

Surface and Volume Properties
Accessible surface: 324.084	Positive charged surface: 229.701	Negative charged surface: 94.383	Volume: 143.375
Hydrophobic surface: 194.028	Hydrophilic surface: 130.056

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.