MMsINC Database Search


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MMsINC code: MMs01666999

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₂S

SMILES:

Clc1ccc(cc1NC(=O)c1sccc1)C(=O)NCc1ccc(Cl)cc1

InChI:

InChI=1/C19H14Cl2N2O2S/c20-14-6-3-12(4-7-14)11-22-18(24)13-5-8-15(21)16(10-13)23-19(25)17-2-1-9-26-17/h1-10H,11H2,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.1589 kcal/mol

Physical Properties
Molecular Weight: 405.305 g/mol	logS: -6.54415	SlogP: 5.5036	Reactive groups: 0

Topological Properties
Globularity: 0.028991	Sterimol/B1: 2.34777	Sterimol/B2: 3.605	Sterimol/B3: 3.77229
Sterimol/B4: 7.57983	Sterimol/L: 21.3953

Surface and Volume Properties
Accessible surface: 653.066	Positive charged surface: 261.486	Negative charged surface: 391.581	Volume: 348.25
Hydrophobic surface: 574.389	Hydrophilic surface: 78.677

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.