MMsINC Database Search


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MMsINC code: MMs01020146

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₂S

SMILES:

Clc1cc2c(N(C)C(=O)C=C2SCC(=O)Nc2ccc(F)cc2)cc1

InChI:

InChI=1/C18H14ClFN2O2S/c1-22-15-7-2-11(19)8-14(15)16(9-18(22)24)25-10-17(23)21-13-5-3-12(20)4-6-13/h2-9H,10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7691 kcal/mol

Physical Properties
Molecular Weight: 376.839 g/mol	logS: -6.19233	SlogP: 4.1683	Reactive groups: 0

Topological Properties
Globularity: 0.010808	Sterimol/B1: 2.58567	Sterimol/B2: 2.83524	Sterimol/B3: 2.8694
Sterimol/B4: 8.6713	Sterimol/L: 17.9519

Surface and Volume Properties
Accessible surface: 595.446	Positive charged surface: 294.148	Negative charged surface: 301.299	Volume: 320.875
Hydrophobic surface: 481.817	Hydrophilic surface: 113.629

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.