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MMsINC code: MMs03888972

Type: Neutral
Formula: C₁₆H₁₂Cl₂N₂O₄S

SMILES:

Clc1ccc(NC(=S)NC(=O)COc2ccccc2Cl)cc1C(O)=O

InChI:

InChI=1/C16H12Cl2N2O4S/c17-11-6-5-9(7-10(11)15(22)23)19-16(25)20-14(21)8-24-13-4-2-1-3-12(13)18/h1-7H,8H2,(H,22,23)(H2,19,20,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.871 kcal/mol

Physical Properties
Molecular Weight: 399.254 g/mol	logS: -6.33316	SlogP: 3.5836	Reactive groups: 0

Topological Properties
Globularity: 0.0172942	Sterimol/B1: 2.12055	Sterimol/B2: 3.52048	Sterimol/B3: 4.11515
Sterimol/B4: 6.03094	Sterimol/L: 19.8489

Surface and Volume Properties
Accessible surface: 611.411	Positive charged surface: 282.209	Negative charged surface: 329.202	Volume: 318.25
Hydrophobic surface: 410.058	Hydrophilic surface: 201.353

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs03888973
PUBCHEM-ZINC06884644