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MMsINC code: MMs00635485

Type: Neutral
Formula: C₁₄H₁₂ClFN₂S

SMILES:

Clc1cccc(NC(=S)Nc2ccccc2F)c1C

InChI:

InChI=1/C14H12ClFN2S/c1-9-10(15)5-4-8-12(9)17-14(19)18-13-7-3-2-6-11(13)16/h2-8H,1H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.283 kcal/mol

Physical Properties
Molecular Weight: 294.781 g/mol	logS: -5.65843	SlogP: 4.59642	Reactive groups: 0

Topological Properties
Globularity: 0.0745901	Sterimol/B1: 2.14068	Sterimol/B2: 3.02915	Sterimol/B3: 4.12261
Sterimol/B4: 6.57032	Sterimol/L: 15.3848

Surface and Volume Properties
Accessible surface: 492.226	Positive charged surface: 230.174	Negative charged surface: 262.051	Volume: 258.5
Hydrophobic surface: 420.369	Hydrophilic surface: 71.857

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.