MMsINC Database Search


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MMsINC code: MMs01406264

Type: Neutral
Formula: C₂₁H₁₅F₂NO₄

SMILES:

Fc1ccc(F)cc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1

InChI:

InChI=1/C21H15F2NO4/c22-14-10-11-17(23)18(12-14)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)=111.435 kcal/mol

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

Topological Properties
Globularity: 0.0241162	Sterimol/B1: 2.74364	Sterimol/B2: 3.4901	Sterimol/B3: 3.59559
Sterimol/B4: 7.27176	Sterimol/L: 20.4494

Surface and Volume Properties
Accessible surface: 643.295	Positive charged surface: 344.1	Negative charged surface: 299.195	Volume: 337.375
Hydrophobic surface: 565.12	Hydrophilic surface: 78.175

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.