MMsINC Database Search


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MMsINC code: MMs01904792

Type: Neutral
Formula: C₁₉H₁₄FNO₅

SMILES:

Fc1ccccc1C1N(C(=O)C(=O)C1C(=O)C)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C19H14FNO5/c1-10(22)15-16(13-4-2-3-5-14(13)20)21(18(24)17(15)23)12-8-6-11(7-9-12)19(25)26/h2-9,15-16H,1H3,(H,25,26)/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7455 kcal/mol

Physical Properties
Molecular Weight: 355.321 g/mol	logS: -4.08864	SlogP: 2.4816	Reactive groups: 0

Topological Properties
Globularity: 0.135084	Sterimol/B1: 2.95671	Sterimol/B2: 3.11467	Sterimol/B3: 4.75263
Sterimol/B4: 7.78815	Sterimol/L: 15.3568

Surface and Volume Properties
Accessible surface: 557.177	Positive charged surface: 272.764	Negative charged surface: 284.413	Volume: 307
Hydrophobic surface: 358.41	Hydrophilic surface: 198.767

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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