MMsINC Database Search


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MMsINC code: MMs01647997

Type: Neutral
Formula: C₁₅H₁₆ClFN₂O₃S₂

SMILES:

Clc1sc(S(=O)(=O)N(CC(=O)NCc2ccc(F)cc2)CC)cc1

InChI:

InChI=1/C15H16ClFN2O3S2/c1-2-19(24(21,22)15-8-7-13(16)23-15)10-14(20)18-9-11-3-5-12(17)6-4-11/h3-8H,2,9-10H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.0283 kcal/mol

Physical Properties
Molecular Weight: 390.887 g/mol	logS: -4.87166	SlogP: 3.134	Reactive groups: 0

Topological Properties
Globularity: 0.0722705	Sterimol/B1: 2.41402	Sterimol/B2: 2.50756	Sterimol/B3: 5.27078
Sterimol/B4: 7.26661	Sterimol/L: 18.564

Surface and Volume Properties
Accessible surface: 604.537	Positive charged surface: 275.416	Negative charged surface: 329.121	Volume: 323.875
Hydrophobic surface: 483.758	Hydrophilic surface: 120.779

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: 1

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Ions/Tautomers related molecules: no related molecules available.