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MMsINC code: MMs00374692

Type: Neutral
Formula: C₁₈H₁₆FNO₄S

SMILES:

s1cccc1C(=O)C1C(N(CCOC)C(=O)C1=O)c1ccccc1F

InChI:

InChI=1/C18H16FNO4S/c1-24-9-8-20-15(11-5-2-3-6-12(11)19)14(17(22)18(20)23)16(21)13-7-4-10-25-13/h2-7,10,14-15H,8-9H2,1H3/t14-,15+/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2914 kcal/mol

Physical Properties
Molecular Weight: 361.393 g/mol	logS: -4.00523	SlogP: 2.5806	Reactive groups: 0

Topological Properties
Globularity: 0.162295	Sterimol/B1: 2.36487	Sterimol/B2: 3.13541	Sterimol/B3: 4.96825
Sterimol/B4: 10.7235	Sterimol/L: 14.1813

Surface and Volume Properties
Accessible surface: 569.742	Positive charged surface: 315.009	Negative charged surface: 254.732	Volume: 319.25
Hydrophobic surface: 479.289	Hydrophilic surface: 90.453

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

MMs00374694
ASINEX-ZINC04820125