MMsINC Database Search


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MMsINC code: MMs00907906

Type: Neutral
Formula: C₂₀H₂₀ClFN₂O₄S

SMILES:

Clc1cc(NC(=O)c2oc3c(cc(S(=O)(=O)N(CC)CC)cc3)c2C)ccc1F

InChI:

InChI=1/C20H20ClFN2O4S/c1-4-24(5-2)29(26,27)14-7-9-18-15(11-14)12(3)19(28-18)20(25)23-13-6-8-17(22)16(21)10-13/h6-11H,4-5H2,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9526 kcal/mol

Physical Properties
Molecular Weight: 438.907 g/mol	logS: -6.71084	SlogP: 4.81652	Reactive groups: 0

Topological Properties
Globularity: 0.0459172	Sterimol/B1: 2.2096	Sterimol/B2: 2.8123	Sterimol/B3: 5.62513
Sterimol/B4: 6.23321	Sterimol/L: 20.2345

Surface and Volume Properties
Accessible surface: 668.317	Positive charged surface: 348.159	Negative charged surface: 315.849	Volume: 376.125
Hydrophobic surface: 532.395	Hydrophilic surface: 135.922

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.