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MMsINC code: MMs00671727

Type: Neutral
Formula: C₂₁H₁₅FN₂O₃S

SMILES:

s1cccc1C(=O)C1C(N(C(=O)C1=O)c1nc(ccc1)C)c1ccc(F)cc1

InChI:

InChI=1/C21H15FN2O3S/c1-12-4-2-6-16(23-12)24-18(13-7-9-14(22)10-8-13)17(20(26)21(24)27)19(25)15-5-3-11-28-15/h2-11,17-18H,1H3/t17-,18+/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4398 kcal/mol

Physical Properties
Molecular Weight: 394.426 g/mol	logS: -5.05296	SlogP: 3.84222	Reactive groups: 0

Topological Properties
Globularity: 0.115666	Sterimol/B1: 2.44695	Sterimol/B2: 3.62327	Sterimol/B3: 3.9816
Sterimol/B4: 9.2767	Sterimol/L: 16.2482

Surface and Volume Properties
Accessible surface: 610.746	Positive charged surface: 279.56	Negative charged surface: 331.187	Volume: 344.75
Hydrophobic surface: 506.643	Hydrophilic surface: 104.103

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00671728
CHEMBRIDGE-ZINC01147812