MMsINC Database Search


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MMsINC code: MMs01486678

Type: Neutral
Formula: C₁₉H₁₆FNO₄

SMILES:

Fc1cc(OC(=O)c2cc3c(cc2)C(=O)N(CCCC)C3=O)ccc1

InChI:

InChI=1/C19H16FNO4/c1-2-3-9-21-17(22)15-8-7-12(10-16(15)18(21)23)19(24)25-14-6-4-5-13(20)11-14/h4-8,10-11H,2-3,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1382 kcal/mol

Physical Properties
Molecular Weight: 341.338 g/mol	logS: -5.38797	SlogP: 3.441	Reactive groups: 0

Topological Properties
Globularity: 0.0337075	Sterimol/B1: 2.47522	Sterimol/B2: 2.65561	Sterimol/B3: 4.32598
Sterimol/B4: 5.66748	Sterimol/L: 20.1522

Surface and Volume Properties
Accessible surface: 602.279	Positive charged surface: 338.345	Negative charged surface: 263.934	Volume: 311.5
Hydrophobic surface: 469.837	Hydrophilic surface: 132.442

Pharmacophoric Properties
Hydrogen bond donors: 0	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.