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MMsINC code: MMs02967248

Type: Neutral
Formula: C₁₉H₂₀FN₅OS

SMILES:

S=C1Nc2ncccc2C(=O)N1CCN1CCN(CC1)c1ccccc1F

InChI:

InChI=1/C19H20FN5OS/c20-15-5-1-2-6-16(15)24-11-8-23(9-12-24)10-13-25-18(26)14-4-3-7-21-17(14)22-19(25)27/h1-7H,8-13H2,(H,21,22,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.971 kcal/mol

Physical Properties
Molecular Weight: 385.467 g/mol	logS: -4.18345	SlogP: 2.1955	Reactive groups: 0

Topological Properties
Globularity: 0.0376955	Sterimol/B1: 2.14326	Sterimol/B2: 2.92316	Sterimol/B3: 4.55385
Sterimol/B4: 6.34463	Sterimol/L: 20.3344

Surface and Volume Properties
Accessible surface: 615.829	Positive charged surface: 390.66	Negative charged surface: 225.169	Volume: 347.875
Hydrophobic surface: 467.476	Hydrophilic surface: 148.353

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02967249
PUBCHEM-ZINC02959810