MMsINC Database Search


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MMsINC code: MMs01655166

Type: Neutral
Formula: C₁₇H₁₆FNO₄

SMILES:

Fc1ccc(N(C(=O)COC(=O)c2ccccc2O)CC)cc1

InChI:

InChI=1/C17H16FNO4/c1-2-19(13-9-7-12(18)8-10-13)16(21)11-23-17(22)14-5-3-4-6-15(14)20/h3-10,20H,2,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.4808 kcal/mol

Physical Properties
Molecular Weight: 317.316 g/mol	logS: -3.91729	SlogP: 2.7412	Reactive groups: 0

Topological Properties
Globularity: 0.0486058	Sterimol/B1: 2.55852	Sterimol/B2: 2.7396	Sterimol/B3: 4.53846
Sterimol/B4: 7.42228	Sterimol/L: 16.8964

Surface and Volume Properties
Accessible surface: 561.429	Positive charged surface: 318.901	Negative charged surface: 242.528	Volume: 291
Hydrophobic surface: 435.518	Hydrophilic surface: 125.911

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.