MMsINC Database Search


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MMsINC code: MMs02705739

Type: Neutral
Formula: C₁₄H₁₀Cl₂N₂O₂S

SMILES:

Clc1cc(NC(=S)NC(=O)c2ccccc2)cc(Cl)c1O

InChI:

InChI=1/C14H10Cl2N2O2S/c15-10-6-9(7-11(16)12(10)19)17-14(21)18-13(20)8-4-2-1-3-5-8/h1-7,19H,(H2,17,18,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.669 kcal/mol

Physical Properties
Molecular Weight: 341.218 g/mol	logS: -5.92499	SlogP: 3.8258	Reactive groups: 0

Topological Properties
Globularity: 0.0167601	Sterimol/B1: 2.95472	Sterimol/B2: 3.44745	Sterimol/B3: 3.80779
Sterimol/B4: 5.09314	Sterimol/L: 17.0442

Surface and Volume Properties
Accessible surface: 542.308	Positive charged surface: 221.768	Negative charged surface: 320.54	Volume: 277.875
Hydrophobic surface: 392.183	Hydrophilic surface: 150.125

Pharmacophoric Properties
Hydrogen bond donors: 3	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.