MMsINC Database Search


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MMsINC code: MMs00674549

Type: Neutral
Formula: C₂₃H₂₀FN₃OS

SMILES:

S1c2c(N(c3c1cccc3)C(=O)N1CCN(CC1)c1ccc(F)cc1)cccc2

InChI:

InChI=1/C23H20FN3OS/c24-17-9-11-18(12-10-17)25-13-15-26(16-14-25)23(28)27-19-5-1-3-7-21(19)29-22-8-4-2-6-20(22)27/h1-12H,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=261.51 kcal/mol

Physical Properties
Molecular Weight: 405.497 g/mol	logS: -5.80969	SlogP: 5.3706	Reactive groups: 0

Topological Properties
Globularity: 0.130904	Sterimol/B1: 2.9689	Sterimol/B2: 3.30772	Sterimol/B3: 5.50572
Sterimol/B4: 8.5583	Sterimol/L: 16.6411

Surface and Volume Properties
Accessible surface: 614.453	Positive charged surface: 340.54	Negative charged surface: 273.912	Volume: 366
Hydrophobic surface: 547.171	Hydrophilic surface: 67.282

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.