MMsINC Database Search


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

MMsINC code: MMs00746200

Type: Neutral
Formula: C₁₉H₁₈FNO₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)C(NC(=O)C)Cc1ccccc1

InChI:

InChI=1/C19H18FNO4/c1-13(22)21-17(11-14-5-3-2-4-6-14)19(24)25-12-18(23)15-7-9-16(20)10-8-15/h2-10,17H,11-12H2,1H3,(H,21,22)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.9055 kcal/mol

Physical Properties
Molecular Weight: 343.354 g/mol	logS: -4.40224	SlogP: 2.29897	Reactive groups: 0

Topological Properties
Globularity: 0.0224512	Sterimol/B1: 2.20612	Sterimol/B2: 2.67524	Sterimol/B3: 3.37457
Sterimol/B4: 8.9217	Sterimol/L: 18.5793

Surface and Volume Properties
Accessible surface: 604.672	Positive charged surface: 326.937	Negative charged surface: 277.736	Volume: 317.625
Hydrophobic surface: 505.194	Hydrophilic surface: 99.478

Pharmacophoric Properties
Hydrogen bond donors: 1	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.