MMsINC Database Search


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MMsINC code: MMs01557460

Type: Neutral
Formula: C₁₄H₉ClFNO₃S

SMILES:

Clc1cccc(F)c1CN1S(=O)(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C14H9ClFNO3S/c15-11-5-3-6-12(16)10(11)8-17-14(18)9-4-1-2-7-13(9)21(17,19)20/h1-7H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.7176 kcal/mol

Physical Properties
Molecular Weight: 325.747 g/mol	logS: -4.62364	SlogP: 3.0902	Reactive groups: 0

Topological Properties
Globularity: 0.130427	Sterimol/B1: 2.95503	Sterimol/B2: 3.46728	Sterimol/B3: 4.58716
Sterimol/B4: 5.29655	Sterimol/L: 13.3928

Surface and Volume Properties
Accessible surface: 478.364	Positive charged surface: 206.433	Negative charged surface: 271.931	Volume: 254.125
Hydrophobic surface: 387.698	Hydrophilic surface: 90.666

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.