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MMsINC code: MMs01126531

Type: Neutral
Formula: C₁₇H₁₈ClFN₂O₃

SMILES:

Clc1cc(NC(=O)N(CC2OCCC2)Cc2occc2)ccc1F

InChI:

InChI=1/C17H18ClFN2O3/c18-15-9-12(5-6-16(15)19)20-17(22)21(10-13-3-1-7-23-13)11-14-4-2-8-24-14/h1,3,5-7,9,14H,2,4,8,10-11H2,(H,20,22)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.3287 kcal/mol

Physical Properties
Molecular Weight: 352.793 g/mol	logS: -4.56596	SlogP: 4.5516	Reactive groups: 0

Topological Properties
Globularity: 0.151786	Sterimol/B1: 2.44735	Sterimol/B2: 3.40935	Sterimol/B3: 5.18482
Sterimol/B4: 10.1657	Sterimol/L: 14.4386

Surface and Volume Properties
Accessible surface: 588.678	Positive charged surface: 330.018	Negative charged surface: 258.661	Volume: 314
Hydrophobic surface: 552.022	Hydrophilic surface: 36.656

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules: no related molecules available.