MMsINC Database Search


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MMsINC code: MMs01816184

Type: Neutral
Formula: C₂₄H₁₉FN₄O₃S

SMILES:

S(=O)(=O)(c1c2nc3c(nc2n(Cc2ccc(OC)cc2)c1N)cccc3)c1ccc(F)cc1

InChI:

InChI=1/C24H19FN4O3S/c1-32-17-10-6-15(7-11-17)14-29-23(26)22(33(30,31)18-12-8-16(25)9-13-18)21-24(29)28-20-5-3-2-4-19(20)27-21/h2-13H,14,26H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.098 kcal/mol

Physical Properties
Molecular Weight: 462.505 g/mol	logS: -6.65636	SlogP: 4.4619	Reactive groups: 0

Topological Properties
Globularity: 0.0874193	Sterimol/B1: 3.16405	Sterimol/B2: 4.40427	Sterimol/B3: 5.44401
Sterimol/B4: 9.58555	Sterimol/L: 17.9617

Surface and Volume Properties
Accessible surface: 700.197	Positive charged surface: 390.249	Negative charged surface: 309.948	Volume: 405.375
Hydrophobic surface: 571.376	Hydrophilic surface: 128.821

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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: 0

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Ions/Tautomers related molecules: no related molecules available.