MMsINC Database Search


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MMsINC code: MMs02779234

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O₃S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC(=O)N

InChI:

InChI=1/C15H14Cl2N2O3S/c16-12-6-7-13(17)14(8-12)23(21,22)19(10-15(18)20)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6704 kcal/mol

Physical Properties
Molecular Weight: 373.26 g/mol	logS: -4.81348	SlogP: 2.936	Reactive groups: 0

Topological Properties
Globularity: 0.0793008	Sterimol/B1: 3.19132	Sterimol/B2: 4.30891	Sterimol/B3: 4.61375
Sterimol/B4: 7.00626	Sterimol/L: 14.7

Surface and Volume Properties
Accessible surface: 535.986	Positive charged surface: 247.479	Negative charged surface: 288.507	Volume: 305.5
Hydrophobic surface: 400.53	Hydrophilic surface: 135.456

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.