MMsINC Database Search


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MMsINC code: MMs03158198

Type: Neutral
Formula: C₁₈H₂₀ClFN₂O₄S

SMILES:

Clc1ccc(S(=O)(=O)N(Cc2ccccc2F)CC(=O)NCCOC)cc1

InChI:

InChI=1/C18H20ClFN2O4S/c1-26-11-10-21-18(23)13-22(12-14-4-2-3-5-17(14)20)27(24,25)16-8-6-15(19)7-9-16/h2-9H,10-13H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.8315 kcal/mol

Physical Properties
Molecular Weight: 414.885 g/mol	logS: -4.41082	SlogP: 2.699	Reactive groups: 0

Topological Properties
Globularity: 0.0722252	Sterimol/B1: 2.93097	Sterimol/B2: 3.40277	Sterimol/B3: 4.57531
Sterimol/B4: 11.4591	Sterimol/L: 15.9234

Surface and Volume Properties
Accessible surface: 639.84	Positive charged surface: 373.761	Negative charged surface: 266.079	Volume: 359.25
Hydrophobic surface: 552.666	Hydrophilic surface: 87.174

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.