MMsINC Database Search


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MMsINC code: MMs02066437

Type: Neutral
Formula: C₁₉H₁₆ClFN₂O₂S

SMILES:

Clc1ccccc1S(=O)(=O)N1CCn2c(ccc2)C1c1ccccc1F

InChI:

InChI=1/C19H16ClFN2O2S/c20-15-7-2-4-10-18(15)26(24,25)23-13-12-22-11-5-9-17(22)19(23)14-6-1-3-8-16(14)21/h1-11,19H,12-13H2/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.5115 kcal/mol

Physical Properties
Molecular Weight: 390.866 g/mol	logS: -4.5025	SlogP: 4.4364	Reactive groups: 0

Topological Properties
Globularity: 0.206396	Sterimol/B1: 2.86161	Sterimol/B2: 3.08117	Sterimol/B3: 5.16965
Sterimol/B4: 8.28827	Sterimol/L: 14.1594

Surface and Volume Properties
Accessible surface: 535.062	Positive charged surface: 278.661	Negative charged surface: 256.401	Volume: 331.25
Hydrophobic surface: 461.64	Hydrophilic surface: 73.422

Pharmacophoric Properties
Hydrogen bond donors: 0	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.