MMsINC Database Search


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

MMsINC code: MMs01411396

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccccc1NC(=O)C(OC(=O)c1ccc(cc1)C(C)C)C

InChI:

InChI=1/C19H20FNO3/c1-12(2)14-8-10-15(11-9-14)19(23)24-13(3)18(22)21-17-7-5-4-6-16(17)20/h4-13H,1-3H3,(H,21,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.8842 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -5.88959	SlogP: 4.1331	Reactive groups: 0

Topological Properties
Globularity: 0.0372082	Sterimol/B1: 2.54132	Sterimol/B2: 3.00178	Sterimol/B3: 4.08348
Sterimol/B4: 6.77895	Sterimol/L: 18.5241

Surface and Volume Properties
Accessible surface: 607.132	Positive charged surface: 352.577	Negative charged surface: 254.555	Volume: 316.875
Hydrophobic surface: 483.451	Hydrophilic surface: 123.681

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.