MMsINC Database Search


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MMsINC code: MMs01682714

Type: Neutral
Formula: C₁₈H₁₆ClFN₂O₂S₂

SMILES:

Clc1sc(S(=O)(=O)NCC(Nc2ccccc2F)c2ccccc2)cc1

InChI:

InChI=1/C18H16ClFN2O2S2/c19-17-10-11-18(25-17)26(23,24)21-12-16(13-6-2-1-3-7-13)22-15-9-5-4-8-14(15)20/h1-11,16,21-22H,12H2/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8745 kcal/mol

Physical Properties
Molecular Weight: 410.921 g/mol	logS: -5.8871	SlogP: 4.7678	Reactive groups: 0

Topological Properties
Globularity: 0.171309	Sterimol/B1: 2.43447	Sterimol/B2: 3.40373	Sterimol/B3: 5.49448
Sterimol/B4: 9.30539	Sterimol/L: 15.7861

Surface and Volume Properties
Accessible surface: 639.283	Positive charged surface: 261.515	Negative charged surface: 377.768	Volume: 348.375
Hydrophobic surface: 555.816	Hydrophilic surface: 83.467

Pharmacophoric Properties
Hydrogen bond donors: 2	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.