MMsINC Database Search


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

MMsINC code: MMs02573601

Type: Neutral
Formula: C₁₇H₁₅ClFNO₄

SMILES:

Clc1ccc(OC(C(OCC(=O)Nc2ccccc2F)=O)C)cc1

InChI:

InChI=1/C17H15ClFNO4/c1-11(24-13-8-6-12(18)7-9-13)17(22)23-10-16(21)20-15-5-3-2-4-14(15)19/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9462 kcal/mol

Physical Properties
Molecular Weight: 351.761 g/mol	logS: -5.19634	SlogP: 3.4283	Reactive groups: 0

Topological Properties
Globularity: 0.0267022	Sterimol/B1: 2.10499	Sterimol/B2: 4.10211	Sterimol/B3: 4.31266
Sterimol/B4: 4.91524	Sterimol/L: 20.2557

Surface and Volume Properties
Accessible surface: 612.603	Positive charged surface: 307.084	Negative charged surface: 305.519	Volume: 305.625
Hydrophobic surface: 506.624	Hydrophilic surface: 105.979

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.