MMsINC Database Search


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MMsINC code: MMs02666988

Type: Neutral
Formula: C₁₆H₁₅ClFNO₂S

SMILES:

Clc1ccc(S(=O)(=O)N2c3c(cc(F)cc3)CCC2C)cc1

InChI:

InChI=1/C16H15ClFNO2S/c1-11-2-3-12-10-14(18)6-9-16(12)19(11)22(20,21)15-7-4-13(17)5-8-15/h4-11H,2-3H2,1H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6818 kcal/mol

Physical Properties
Molecular Weight: 339.818 g/mol	logS: -4.86442	SlogP: 4.00907	Reactive groups: 0

Topological Properties
Globularity: 0.155168	Sterimol/B1: 2.46349	Sterimol/B2: 2.78568	Sterimol/B3: 5.4887
Sterimol/B4: 7.5351	Sterimol/L: 13.4653

Surface and Volume Properties
Accessible surface: 501.184	Positive charged surface: 223.067	Negative charged surface: 278.117	Volume: 288
Hydrophobic surface: 429.183	Hydrophilic surface: 72.001

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.