MMsINC Database Search


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MMsINC code: MMs01043805

Type: Neutral
Formula: C₁₅H₁₁ClFNO₂S

SMILES:

Clc1cc(F)ccc1Cn1c2c(scc2)cc1C(OC)=O

InChI:

InChI=1/C15H11ClFNO2S/c1-20-15(19)13-7-14-12(4-5-21-14)18(13)8-9-2-3-10(17)6-11(9)16/h2-7H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6616 kcal/mol

Physical Properties
Molecular Weight: 323.775 g/mol	logS: -4.52316	SlogP: 4.5966	Reactive groups: 0

Topological Properties
Globularity: 0.154819	Sterimol/B1: 3.04263	Sterimol/B2: 3.23882	Sterimol/B3: 3.96474
Sterimol/B4: 7.90721	Sterimol/L: 12.4234

Surface and Volume Properties
Accessible surface: 486.471	Positive charged surface: 225.27	Negative charged surface: 261.201	Volume: 271.625
Hydrophobic surface: 438.011	Hydrophilic surface: 48.46

Pharmacophoric Properties
Hydrogen bond donors: 0	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.