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MMsINC code: MMs01464118

Type: Neutral
Formula: C₁₇H₁₄ClF₂NO₃

SMILES:

Clc1cc(F)c(F)cc1C(=O)NCCc1cc2OCCOc2cc1

InChI:

InChI=1/C17H14ClF2NO3/c18-12-9-14(20)13(19)8-11(12)17(22)21-4-3-10-1-2-15-16(7-10)24-6-5-23-15/h1-2,7-9H,3-6H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3772 kcal/mol

Physical Properties
Molecular Weight: 353.752 g/mol	logS: -4.93423	SlogP: 3.36187	Reactive groups: 0

Topological Properties
Globularity: 0.0473589	Sterimol/B1: 2.13367	Sterimol/B2: 2.6722	Sterimol/B3: 4.36136
Sterimol/B4: 6.10894	Sterimol/L: 18.8039

Surface and Volume Properties
Accessible surface: 569.086	Positive charged surface: 317.174	Negative charged surface: 251.912	Volume: 297.375
Hydrophobic surface: 514.887	Hydrophilic surface: 54.199

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

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Ions/Tautomers related molecules: no related molecules available.