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MMsINC code: MMs00640071

Type: Neutral
Formula: C₁₇H₁₅ClN₂O₄S

SMILES:

Clc1cc(C(=O)NC(=S)Nc2ccc(cc2)C(OC)=O)c(OC)cc1

InChI:

InChI=1/C17H15ClN2O4S/c1-23-14-8-5-11(18)9-13(14)15(21)20-17(25)19-12-6-3-10(4-7-12)16(22)24-2/h3-9H,1-2H3,(H2,19,20,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.424 kcal/mol

Physical Properties
Molecular Weight: 378.836 g/mol	logS: -5.98476	SlogP: 3.262	Reactive groups: 0

Topological Properties
Globularity: 0.01527	Sterimol/B1: 2.41815	Sterimol/B2: 2.47407	Sterimol/B3: 3.36379
Sterimol/B4: 8.53959	Sterimol/L: 19.1562

Surface and Volume Properties
Accessible surface: 626.851	Positive charged surface: 366.753	Negative charged surface: 260.098	Volume: 326.5
Hydrophobic surface: 476.816	Hydrophilic surface: 150.035

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.