MMsINC Database Search


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MMsINC code: MMs01698145

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O₃S

SMILES:

Clc1ccc(cc1S(=O)(=O)NC)C(=O)NCc1cc(Cl)ccc1

InChI:

InChI=1/C15H14Cl2N2O3S/c1-18-23(21,22)14-8-11(5-6-13(14)17)15(20)19-9-10-3-2-4-12(16)7-10/h2-8,18H,9H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.7453 kcal/mol

Physical Properties
Molecular Weight: 373.26 g/mol	logS: -4.60547	SlogP: 3.0979	Reactive groups: 0

Topological Properties
Globularity: 0.0793383	Sterimol/B1: 2.50452	Sterimol/B2: 3.80562	Sterimol/B3: 4.90204
Sterimol/B4: 6.01743	Sterimol/L: 16.4416

Surface and Volume Properties
Accessible surface: 581.344	Positive charged surface: 275.388	Negative charged surface: 305.956	Volume: 308.25
Hydrophobic surface: 455.463	Hydrophilic surface: 125.881

Pharmacophoric Properties
Hydrogen bond donors: 2	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.