MMsINC Database Search


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MMsINC code: MMs00772398

Type: Neutral
Formula: C₂₃H₁₈FNO₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)c1ccc(NC(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C23H18FNO4/c1-15-2-4-17(5-3-15)22(27)25-20-12-8-18(9-13-20)23(28)29-14-21(26)16-6-10-19(24)11-7-16/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)=108.881 kcal/mol

Physical Properties
Molecular Weight: 391.398 g/mol	logS: -6.60475	SlogP: 4.42612	Reactive groups: 0

Topological Properties
Globularity: 0.00608535	Sterimol/B1: 2.55703	Sterimol/B2: 2.83322	Sterimol/B3: 3.42241
Sterimol/B4: 4.83093	Sterimol/L: 24.2696

Surface and Volume Properties
Accessible surface: 682.55	Positive charged surface: 352.459	Negative charged surface: 330.091	Volume: 365.125
Hydrophobic surface: 571.064	Hydrophilic surface: 111.486

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.