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MMsINC code: MMs00196417

Type: Neutral
Formula: C₂₄H₁₈FNO₄

SMILES:

Fc1cc(ccc1)C1N(C(=O)C(O)=C1C(=O)c1ccc(cc1)C)c1ccc(O)cc1

InChI:

InChI=1/C24H18FNO4/c1-14-5-7-15(8-6-14)22(28)20-21(16-3-2-4-17(25)13-16)26(24(30)23(20)29)18-9-11-19(27)12-10-18/h2-13,21,27,29H,1H3/t21-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.072 kcal/mol

Physical Properties
Molecular Weight: 403.409 g/mol	logS: -6.09341	SlogP: 4.71812	Reactive groups: 1

Topological Properties
Globularity: 0.219014	Sterimol/B1: 2.54637	Sterimol/B2: 2.82279	Sterimol/B3: 7.36704
Sterimol/B4: 7.96964	Sterimol/L: 16.4639

Surface and Volume Properties
Accessible surface: 643.009	Positive charged surface: 336.345	Negative charged surface: 306.664	Volume: 366.875
Hydrophobic surface: 487.338	Hydrophilic surface: 155.671

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00196418
ASINEX-ZINC00858687