MMsINC Database Search


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MMsINC code: MMs00635607

Type: Neutral
Formula: C₁₄H₁₁Cl₃N₂S

SMILES:

Clc1cc(Cl)ccc1NC(=S)Nc1cc(Cl)ccc1C

InChI:

InChI=1/C14H11Cl3N2S/c1-8-2-3-10(16)7-13(8)19-14(20)18-12-5-4-9(15)6-11(12)17/h2-7H,1H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.913 kcal/mol

Physical Properties
Molecular Weight: 345.681 g/mol	logS: -6.83203	SlogP: 5.76412	Reactive groups: 0

Topological Properties
Globularity: 0.0953283	Sterimol/B1: 2.08738	Sterimol/B2: 3.46123	Sterimol/B3: 5.3321
Sterimol/B4: 7.86666	Sterimol/L: 15.4626

Surface and Volume Properties
Accessible surface: 537.405	Positive charged surface: 193.451	Negative charged surface: 343.955	Volume: 286.25
Hydrophobic surface: 470.496	Hydrophilic surface: 66.909

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.