MMsINC Database Search


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

MMsINC code: MMs03322486

Type: Neutral
Formula: C₁₆H₁₃FN₂O₃

SMILES:

Fc1ccccc1C(OC(=O)NC)c1oc2c(n1)cccc2

InChI:

InChI=1/C16H13FN2O3/c1-18-16(20)22-14(10-6-2-3-7-11(10)17)15-19-12-8-4-5-9-13(12)21-15/h2-9,14H,1H3,(H,18,20)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.7652 kcal/mol

Physical Properties
Molecular Weight: 300.289 g/mol	logS: -4.13254	SlogP: 3.5078	Reactive groups: 0

Topological Properties
Globularity: 0.145166	Sterimol/B1: 2.19838	Sterimol/B2: 3.75062	Sterimol/B3: 4.15714
Sterimol/B4: 9.20746	Sterimol/L: 14.5252

Surface and Volume Properties
Accessible surface: 539.349	Positive charged surface: 327.905	Negative charged surface: 211.444	Volume: 270.375
Hydrophobic surface: 446.947	Hydrophilic surface: 92.402

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.