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MMsINC code: MMs01980361

Type: Neutral
Formula: C₁₈H₁₁FN₂O₃S₂

SMILES:

s1cccc1C1N(C(=O)C(O)=C1C(=O)c1ccc(F)cc1)c1sccn1

InChI:

InChI=1/C18H11FN2O3S2/c19-11-5-3-10(4-6-11)15(22)13-14(12-2-1-8-25-12)21(17(24)16(13)23)18-20-7-9-26-18/h1-9,14,23H/t14-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7151 kcal/mol

Physical Properties
Molecular Weight: 386.427 g/mol	logS: -5.25948	SlogP: 4.2221	Reactive groups: 1

Topological Properties
Globularity: 0.228418	Sterimol/B1: 2.38711	Sterimol/B2: 4.16658	Sterimol/B3: 4.66671
Sterimol/B4: 7.96327	Sterimol/L: 14.911

Surface and Volume Properties
Accessible surface: 573.876	Positive charged surface: 267.872	Negative charged surface: 306.004	Volume: 321.625
Hydrophobic surface: 453.056	Hydrophilic surface: 120.82

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01980362
IFLAB-ZINC00916855