MMsINC Database Search


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MMsINC code: MMs01649780

Type: Neutral
Formula: C₁₈H₁₈F₂N₄O₂S

SMILES:

S(=O)(=O)(N1CCN(CC1)Cn1c2c(nc1)cccc2)c1c(F)cccc1F

InChI:

InChI=1/C18H18F2N4O2S/c19-14-4-3-5-15(20)18(14)27(25,26)24-10-8-22(9-11-24)13-23-12-21-16-6-1-2-7-17(16)23/h1-7,12H,8-11,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7755 kcal/mol

Physical Properties
Molecular Weight: 392.43 g/mol	logS: -3.74868	SlogP: 2.5449	Reactive groups: 0

Topological Properties
Globularity: 0.136758	Sterimol/B1: 2.77651	Sterimol/B2: 4.09307	Sterimol/B3: 4.45674
Sterimol/B4: 7.06986	Sterimol/L: 14.8834

Surface and Volume Properties
Accessible surface: 579.382	Positive charged surface: 340.754	Negative charged surface: 238.628	Volume: 334.75
Hydrophobic surface: 486.495	Hydrophilic surface: 92.887

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.