MMsINC Database Search


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MMsINC code: MMs01589633

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂S

SMILES:

Clc1cc(S(=O)(=O)N2CCCc3c2cccc3)ccc1F

InChI:

InChI=1/C15H13ClFNO2S/c16-13-10-12(7-8-14(13)17)21(19,20)18-9-3-5-11-4-1-2-6-15(11)18/h1-2,4,6-8,10H,3,5,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1047 kcal/mol

Physical Properties
Molecular Weight: 325.791 g/mol	logS: -4.53721	SlogP: 3.62057	Reactive groups: 0

Topological Properties
Globularity: 0.118833	Sterimol/B1: 2.47905	Sterimol/B2: 3.01463	Sterimol/B3: 4.55543
Sterimol/B4: 7.28902	Sterimol/L: 12.6326

Surface and Volume Properties
Accessible surface: 490.347	Positive charged surface: 227.005	Negative charged surface: 263.343	Volume: 270.625
Hydrophobic surface: 437.488	Hydrophilic surface: 52.859

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.