MMsINC Database Search


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MMsINC code: MMs02931933

Type: Neutral
Formula: C₂₃H₂₂ClFN₂O₃S₂

SMILES:

Clc1cccc(F)c1CSCCNC(=O)CN(S(=O)(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H22ClFN2O3S2/c24-21-12-7-13-22(25)20(21)17-31-15-14-26-23(28)16-27(18-8-3-1-4-9-18)32(29,30)19-10-5-2-6-11-19/h1-13H,14-17H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8447 kcal/mol

Physical Properties
Molecular Weight: 493.023 g/mol	logS: -7.08392	SlogP: 4.9904	Reactive groups: 0

Topological Properties
Globularity: 0.0394446	Sterimol/B1: 2.49827	Sterimol/B2: 3.63561	Sterimol/B3: 4.44565
Sterimol/B4: 10.2669	Sterimol/L: 21.9121

Surface and Volume Properties
Accessible surface: 771.791	Positive charged surface: 398.244	Negative charged surface: 373.547	Volume: 431.75
Hydrophobic surface: 657.891	Hydrophilic surface: 113.9

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: 0

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Ions/Tautomers related molecules: no related molecules available.