MMsINC Database Search


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MMsINC code: MMs00650426

Type: Neutral
Formula: C₂₃H₁₈FNO₅

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)c1ccccc1NC(=O)c1cc(OC)ccc1

InChI:

InChI=1/C23H18FNO5/c1-29-18-6-4-5-16(13-18)22(27)25-20-8-3-2-7-19(20)23(28)30-14-21(26)15-9-11-17(24)12-10-15/h2-13H,14H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.54 kcal/mol

Physical Properties
Molecular Weight: 407.397 g/mol	logS: -6.18121	SlogP: 4.1263	Reactive groups: 0

Topological Properties
Globularity: 0.0120359	Sterimol/B1: 1.9911	Sterimol/B2: 2.72754	Sterimol/B3: 3.54299
Sterimol/B4: 10.401	Sterimol/L: 20.1828

Surface and Volume Properties
Accessible surface: 685.249	Positive charged surface: 387.029	Negative charged surface: 298.219	Volume: 369.625
Hydrophobic surface: 584.243	Hydrophilic surface: 101.006

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.