MMsINC Database Search


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MMsINC code: MMs01020149

Type: Neutral
Formula: C₁₈H₁₃Cl₂FN₂O₂S

SMILES:

Clc1cc(F)ccc1NC(=O)CSC1=CC(=O)N(c2c1cc(Cl)cc2)C

InChI:

InChI=1/C18H13Cl2FN2O2S/c1-23-15-5-2-10(19)6-12(15)16(8-18(23)25)26-9-17(24)22-14-4-3-11(21)7-13(14)20/h2-8H,9H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3691 kcal/mol

Physical Properties
Molecular Weight: 411.284 g/mol	logS: -6.92662	SlogP: 4.8217	Reactive groups: 0

Topological Properties
Globularity: 0.011221	Sterimol/B1: 2.56315	Sterimol/B2: 2.85883	Sterimol/B3: 3.27122
Sterimol/B4: 8.6709	Sterimol/L: 17.9591

Surface and Volume Properties
Accessible surface: 615.009	Positive charged surface: 272.419	Negative charged surface: 342.591	Volume: 335.625
Hydrophobic surface: 508.083	Hydrophilic surface: 106.926

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

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Ions/Tautomers related molecules: no related molecules available.