MMsINC Database Search


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MMsINC code: MMs01553852

Type: Neutral
Formula: C₂₃H₁₈FNO₅

SMILES:

Fc1cc(NC(=O)COC(=O)c2ccc(cc2)-c2ccc(OC(=O)C)cc2)ccc1

InChI:

InChI=1/C23H18FNO5/c1-15(26)30-21-11-9-17(10-12-21)16-5-7-18(8-6-16)23(28)29-14-22(27)25-20-4-2-3-19(24)13-20/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)=124.441 kcal/mol

Physical Properties
Molecular Weight: 407.397 g/mol	logS: -6.83792	SlogP: 4.2135	Reactive groups: 0

Topological Properties
Globularity: 0.00907171	Sterimol/B1: 2.70438	Sterimol/B2: 3.15805	Sterimol/B3: 3.37572
Sterimol/B4: 6.86464	Sterimol/L: 23.8809

Surface and Volume Properties
Accessible surface: 701.311	Positive charged surface: 362.418	Negative charged surface: 327.954	Volume: 370.5
Hydrophobic surface: 573.51	Hydrophilic surface: 127.801

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.