MMsINC Database Search


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MMsINC code: MMs01884459

Type: Neutral
Formula: C₁₉H₁₅FN₄OS

SMILES:

S(Cc1ccc(F)cc1)c1nnc(n1Cc1occc1)-c1cccnc1

InChI:

InChI=1/C19H15FN4OS/c20-16-7-5-14(6-8-16)13-26-19-23-22-18(15-3-1-9-21-11-15)24(19)12-17-4-2-10-25-17/h1-11H,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0987 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -6.5104	SlogP: 4.9456	Reactive groups: 0

Topological Properties
Globularity: 0.0486543	Sterimol/B1: 3.19047	Sterimol/B2: 3.68375	Sterimol/B3: 4.54257
Sterimol/B4: 6.43422	Sterimol/L: 18.326

Surface and Volume Properties
Accessible surface: 596.37	Positive charged surface: 333.297	Negative charged surface: 263.073	Volume: 330.625
Hydrophobic surface: 511.173	Hydrophilic surface: 85.197

Pharmacophoric Properties
Hydrogen bond donors: 0	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.