MMsINC Database Search


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MMsINC code: MMs00583458

Type: Neutral
Formula: C₁₁H₇Cl₂NOS

SMILES:

Clc1cc(NC(=O)c2sccc2)cc(Cl)c1

InChI:

InChI=1/C11H7Cl2NOS/c12-7-4-8(13)6-9(5-7)14-11(15)10-2-1-3-16-10/h1-6H,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.9497 kcal/mol

Physical Properties
Molecular Weight: 272.155 g/mol	logS: -4.63012	SlogP: 4.3072	Reactive groups: 0

Topological Properties
Globularity: 0.0145293	Sterimol/B1: 2.50611	Sterimol/B2: 2.93201	Sterimol/B3: 4.5618
Sterimol/B4: 4.73017	Sterimol/L: 13.7275

Surface and Volume Properties
Accessible surface: 448.957	Positive charged surface: 140.939	Negative charged surface: 308.018	Volume: 220
Hydrophobic surface: 409.279	Hydrophilic surface: 39.678

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.