MMsINC Database Search


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MMsINC code: MMs01384118

Type: Neutral
Formula: C₁₅H₁₀Cl₂N₂S

SMILES:

Clc1c(N2C(=CNC2=S)c2ccccc2)cccc1Cl

InChI:

InChI=1/C15H10Cl2N2S/c16-11-7-4-8-12(14(11)17)19-13(9-18-15(19)20)10-5-2-1-3-6-10/h1-9H,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.081 kcal/mol

Physical Properties
Molecular Weight: 321.231 g/mol	logS: -6.49922	SlogP: 4.6865	Reactive groups: 0

Topological Properties
Globularity: 0.161481	Sterimol/B1: 2.43266	Sterimol/B2: 3.72232	Sterimol/B3: 4.69215
Sterimol/B4: 8.30982	Sterimol/L: 11.813

Surface and Volume Properties
Accessible surface: 492.915	Positive charged surface: 186.269	Negative charged surface: 306.645	Volume: 275.75
Hydrophobic surface: 396.204	Hydrophilic surface: 96.711

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.