MMsINC Database Search


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

MMsINC code: MMs01635400

Type: Neutral
Formula: C₁₆H₁₅ClFNO₄

SMILES:

Clc1cc(C(OCCOc2ccccc2F)=O)c(OC)cc1N

InChI:

InChI=1/C16H15ClFNO4/c1-21-15-9-13(19)11(17)8-10(15)16(20)23-7-6-22-14-5-3-2-4-12(14)18/h2-5,8-9H,6-7,19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.207 kcal/mol

Physical Properties
Molecular Weight: 339.75 g/mol	logS: -4.41186	SlogP: 3.3057	Reactive groups: 0

Topological Properties
Globularity: 0.0411322	Sterimol/B1: 2.53668	Sterimol/B2: 3.23938	Sterimol/B3: 3.74607
Sterimol/B4: 7.75293	Sterimol/L: 16.4495

Surface and Volume Properties
Accessible surface: 586.151	Positive charged surface: 355.665	Negative charged surface: 230.486	Volume: 294
Hydrophobic surface: 495.459	Hydrophilic surface: 90.692

Pharmacophoric Properties
Hydrogen bond donors: 1	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.