MMsINC Database Search


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MMsINC code: MMs01329872

Type: Neutral
Formula: C₂₀H₁₈FNO₃

SMILES:

Fc1ccc(cc1)C(=O)c1c2n(C=CC=C2)c(CCC(OC)=O)c1C

InChI:

InChI=1/C20H18FNO3/c1-13-16(10-11-18(23)25-2)22-12-4-3-5-17(22)19(13)20(24)14-6-8-15(21)9-7-14/h3-9,12H,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6682 kcal/mol

Physical Properties
Molecular Weight: 339.366 g/mol	logS: -3.78212	SlogP: 3.76969	Reactive groups: 1

Topological Properties
Globularity: 0.133444	Sterimol/B1: 2.15748	Sterimol/B2: 3.14186	Sterimol/B3: 6.19333
Sterimol/B4: 7.71661	Sterimol/L: 16.0776

Surface and Volume Properties
Accessible surface: 589.902	Positive charged surface: 334.058	Negative charged surface: 255.844	Volume: 321.125
Hydrophobic surface: 514.685	Hydrophilic surface: 75.217

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.