MMsINC Database Search


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MMsINC code: MMs01434109

Type: Neutral
Formula: C₁₉H₁₈FNO₅

SMILES:

Fc1ccccc1CC(OCC(=O)Nc1ccc(cc1)C(OCC)=O)=O

InChI:

InChI=1/C19H18FNO5/c1-2-25-19(24)13-7-9-15(10-8-13)21-17(22)12-26-18(23)11-14-5-3-4-6-16(14)20/h3-10H,2,11-12H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4588 kcal/mol

Physical Properties
Molecular Weight: 359.353 g/mol	logS: -4.82843	SlogP: 2.72677	Reactive groups: 1

Topological Properties
Globularity: 0.0169507	Sterimol/B1: 3.12555	Sterimol/B2: 3.20987	Sterimol/B3: 3.38364
Sterimol/B4: 4.56268	Sterimol/L: 23.2429

Surface and Volume Properties
Accessible surface: 651.027	Positive charged surface: 396.335	Negative charged surface: 254.692	Volume: 328.625
Hydrophobic surface: 508.628	Hydrophilic surface: 142.399

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.