MMsINC Database Search


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MMsINC code: MMs01557594

Type: Neutral
Formula: C₂₄H₂₀FNO₄

SMILES:

Fc1ccc(cc1)C(=O)c1ccc(OC(C(=O)Nc2ccc(cc2)C(=O)C)C)cc1

InChI:

InChI=1/C24H20FNO4/c1-15(27)17-5-11-21(12-6-17)26-24(29)16(2)30-22-13-7-19(8-14-22)23(28)18-3-9-20(25)10-4-18/h3-14,16H,1-2H3,(H,26,29)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.139 kcal/mol

Physical Properties
Molecular Weight: 405.425 g/mol	logS: -6.43896	SlogP: 4.6653	Reactive groups: 0

Topological Properties
Globularity: 0.0264669	Sterimol/B1: 2.28729	Sterimol/B2: 2.44553	Sterimol/B3: 5.0032
Sterimol/B4: 6.4245	Sterimol/L: 22.4834

Surface and Volume Properties
Accessible surface: 688.973	Positive charged surface: 361.938	Negative charged surface: 327.035	Volume: 377.625
Hydrophobic surface: 547.58	Hydrophilic surface: 141.393

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