MMsINC Database Search


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

MMsINC code: MMs00568300

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂

SMILES:

Clc1cccc(F)c1CNCc1ccc(cc1)C(O)=O

InChI:

InChI=1/C15H13ClFNO2/c16-13-2-1-3-14(17)12(13)9-18-8-10-4-6-11(7-5-10)15(19)20/h1-7,18H,8-9H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.7149 kcal/mol

Physical Properties
Molecular Weight: 293.725 g/mol	logS: -3.89195	SlogP: 3.9999	Reactive groups: 0

Topological Properties
Globularity: 0.106991	Sterimol/B1: 2.18813	Sterimol/B2: 3.49355	Sterimol/B3: 5.2542
Sterimol/B4: 5.37938	Sterimol/L: 15.5926

Surface and Volume Properties
Accessible surface: 516.249	Positive charged surface: 260.195	Negative charged surface: 256.054	Volume: 261.875
Hydrophobic surface: 396.758	Hydrophilic surface: 119.491

Pharmacophoric Properties
Hydrogen bond donors: 3	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.