MMsINC Database Search


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MMsINC code: MMs00971223

Type: Neutral
Formula: C₂₄H₁₆FNO₄

SMILES:

Fc1cc(ccc1)CN1C=C(C(=O)c2ccccc2)C(=O)c2c1cc1OCOc1c2

InChI:

InChI=1/C24H16FNO4/c25-17-8-4-5-15(9-17)12-26-13-19(23(27)16-6-2-1-3-7-16)24(28)18-10-21-22(11-20(18)26)30-14-29-21/h1-11,13H,12,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.628 kcal/mol

Physical Properties
Molecular Weight: 401.393 g/mol	logS: -6.16543	SlogP: 4.7905	Reactive groups: 1

Topological Properties
Globularity: 0.0733121	Sterimol/B1: 3.17015	Sterimol/B2: 3.92823	Sterimol/B3: 6.53579
Sterimol/B4: 7.09036	Sterimol/L: 15.8789

Surface and Volume Properties
Accessible surface: 627.014	Positive charged surface: 333.203	Negative charged surface: 293.812	Volume: 360.25
Hydrophobic surface: 501.029	Hydrophilic surface: 125.985

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.