MMsINC Database Search


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MMsINC code: MMs00757327

Type: Neutral
Formula: C₁₉H₁₄FNO₂

SMILES:

Fc1ccc(cc1)\C=C\c1nc2c(cc1)cccc2OC(=O)C

InChI:

InChI=1/C19H14FNO2/c1-13(22)23-18-4-2-3-15-8-12-17(21-19(15)18)11-7-14-5-9-16(20)10-6-14/h2-12H,1H3/b11-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2299 kcal/mol

Physical Properties
Molecular Weight: 307.324 g/mol	logS: -5.02212	SlogP: 4.4696	Reactive groups: 0

Topological Properties
Globularity: 0.0145543	Sterimol/B1: 2.21066	Sterimol/B2: 2.92027	Sterimol/B3: 2.95937
Sterimol/B4: 9.29619	Sterimol/L: 16.5246

Surface and Volume Properties
Accessible surface: 549.894	Positive charged surface: 274.801	Negative charged surface: 269.921	Volume: 292.375
Hydrophobic surface: 498.258	Hydrophilic surface: 51.636

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.