MMsINC Database Search


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MMsINC code: MMs01589736

Type: Neutral
Formula: C₁₅H₁₅ClFNO₃S

SMILES:

Clc1cc(S(=O)(=O)NCCc2ccc(OC)cc2)ccc1F

InChI:

InChI=1/C15H15ClFNO3S/c1-21-12-4-2-11(3-5-12)8-9-18-22(19,20)13-6-7-15(17)14(16)10-13/h2-7,10,18H,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.5802 kcal/mol

Physical Properties
Molecular Weight: 343.806 g/mol	logS: -4.13188	SlogP: 3.00867	Reactive groups: 0

Topological Properties
Globularity: 0.0883364	Sterimol/B1: 3.30265	Sterimol/B2: 3.50471	Sterimol/B3: 4.3216
Sterimol/B4: 6.3796	Sterimol/L: 15.1853

Surface and Volume Properties
Accessible surface: 566.243	Positive charged surface: 284.848	Negative charged surface: 281.395	Volume: 291.5
Hydrophobic surface: 474.464	Hydrophilic surface: 91.779

Pharmacophoric Properties
Hydrogen bond donors: 1	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.