MMsINC Database Search


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MMsINC code: MMs00690195

Type: Neutral
Formula: C₁₉H₁₄FNO₅

SMILES:

Fc1ccc(cc1)C1N(C(=O)C(O)=C1C(=O)C)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C19H14FNO5/c1-10(22)15-16(11-2-6-13(20)7-3-11)21(18(24)17(15)23)14-8-4-12(5-9-14)19(25)26/h2-9,16,23H,1H3,(H,25,26)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1212 kcal/mol

Physical Properties
Molecular Weight: 355.321 g/mol	logS: -4.1903	SlogP: 3.1084	Reactive groups: 1

Topological Properties
Globularity: 0.140639	Sterimol/B1: 2.11665	Sterimol/B2: 5.56012	Sterimol/B3: 5.8717
Sterimol/B4: 5.97812	Sterimol/L: 14.4396

Surface and Volume Properties
Accessible surface: 541.238	Positive charged surface: 278.383	Negative charged surface: 262.855	Volume: 307.25
Hydrophobic surface: 333.546	Hydrophilic surface: 207.692

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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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