MMsINC Database Search


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MMsINC code: MMs00477673

Type: Neutral
Formula: C₂₃H₂₀FNO₃

SMILES:

Fc1ccc(N2C3=C(C(O)=C(c4ccccc4)C2=O)C(=O)CC(C3)(C)C)cc1

InChI:

InChI=1/C23H20FNO3/c1-23(2)12-17-20(18(26)13-23)21(27)19(14-6-4-3-5-7-14)22(28)25(17)16-10-8-15(24)9-11-16/h3-11,27H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.819 kcal/mol

Physical Properties
Molecular Weight: 377.415 g/mol	logS: -5.93939	SlogP: 4.7848	Reactive groups: 1

Topological Properties
Globularity: 0.126743	Sterimol/B1: 2.04215	Sterimol/B2: 3.71543	Sterimol/B3: 5.39991
Sterimol/B4: 8.8359	Sterimol/L: 15.1275

Surface and Volume Properties
Accessible surface: 601.74	Positive charged surface: 337.146	Negative charged surface: 264.595	Volume: 351.5
Hydrophobic surface: 485.844	Hydrophilic surface: 115.896

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: no related molecules available.