MMsINC Database Search


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

MMsINC code: MMs00621550

Type: Neutral
Formula: C₁₅H₁₅NO₃

SMILES:

O(C)c1cc(ccc1)C(=O)Nc1cc(C)c(O)cc1

InChI:

InChI=1/C15H15NO3/c1-10-8-12(6-7-14(10)17)16-15(18)11-4-3-5-13(9-11)19-2/h3-9,17H,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.964 kcal/mol

Physical Properties
Molecular Weight: 257.289 g/mol	logS: -3.20377	SlogP: 2.96152	Reactive groups: 0

Topological Properties
Globularity: 0.0185561	Sterimol/B1: 2.11643	Sterimol/B2: 2.86172	Sterimol/B3: 3.30369
Sterimol/B4: 5.72967	Sterimol/L: 16.3812

Surface and Volume Properties
Accessible surface: 496.328	Positive charged surface: 316.747	Negative charged surface: 179.58	Volume: 250.125
Hydrophobic surface: 405.24	Hydrophilic surface: 91.088

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.