MMsINC Database Search


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MMsINC code: MMs01626311

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₄S

SMILES:

Clc1cc(F)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2occc2)cc1

InChI:

InChI=1/C18H14ClFN2O4S/c19-12-7-8-17(15(20)10-12)27(24,25)22-16-6-2-1-5-14(16)18(23)21-11-13-4-3-9-26-13/h1-10,22H,11H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.3819 kcal/mol

Physical Properties
Molecular Weight: 408.837 g/mol	logS: -5.74159	SlogP: 4.0693	Reactive groups: 0

Topological Properties
Globularity: 0.182385	Sterimol/B1: 2.34397	Sterimol/B2: 3.27381	Sterimol/B3: 5.65172
Sterimol/B4: 9.86503	Sterimol/L: 14.7896

Surface and Volume Properties
Accessible surface: 597.013	Positive charged surface: 266.225	Negative charged surface: 330.787	Volume: 333.625
Hydrophobic surface: 479.298	Hydrophilic surface: 117.715

Pharmacophoric Properties
Hydrogen bond donors: 2	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.