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MMsINC code: MMs01019455

Type: Neutral
Formula: C₁₉H₁₂ClFN₂O₂S

SMILES:

Clc1cc(NC(=O)c2sc-3c(c2)C(=O)N(c2c-3cccc2)C)ccc1F

InChI:

InChI=1/C19H12ClFN2O2S/c1-23-15-5-3-2-4-11(15)17-12(19(23)25)9-16(26-17)18(24)22-10-6-7-14(21)13(20)8-10/h2-9H,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2114 kcal/mol

Physical Properties
Molecular Weight: 386.834 g/mol	logS: -6.80449	SlogP: 5.0499	Reactive groups: 0

Topological Properties
Globularity: 0.0118174	Sterimol/B1: 2.5246	Sterimol/B2: 2.60083	Sterimol/B3: 3.69407
Sterimol/B4: 7.52212	Sterimol/L: 18.0612

Surface and Volume Properties
Accessible surface: 593.125	Positive charged surface: 268.021	Negative charged surface: 325.103	Volume: 323.125
Hydrophobic surface: 514.742	Hydrophilic surface: 78.383

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.