MMsINC Database Search


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MMsINC code: MMs01406432

Type: Neutral
Formula: C₂₁H₁₅F₂NO₄

SMILES:

Fc1cc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)ccc1F

InChI:

InChI=1/C21H15F2NO4/c22-17-11-10-14(12-18(17)23)24-20(25)13-27-21(26)16-8-4-5-9-19(16)28-15-6-2-1-3-7-15/h1-12H,13H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.147 kcal/mol

Physical Properties
Molecular Weight: 383.35 g/mol	logS: -6.13571	SlogP: 4.5526	Reactive groups: 0

Topological Properties
Globularity: 0.0242507	Sterimol/B1: 2.45014	Sterimol/B2: 3.49098	Sterimol/B3: 3.60193
Sterimol/B4: 7.27657	Sterimol/L: 20.7083

Surface and Volume Properties
Accessible surface: 643.379	Positive charged surface: 342.207	Negative charged surface: 301.171	Volume: 337.5
Hydrophobic surface: 564.806	Hydrophilic surface: 78.573

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.