MMsINC Database Search


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MMsINC code: MMs02980119

Type: Neutral
Formula: C₁₆H₁₂FNO₄

SMILES:

Fc1cc2c(Oc3nc(CC)c(cc3C2=O)C(OC)=O)cc1

InChI:

InChI=1/C16H12FNO4/c1-3-12-9(16(20)21-2)7-11-14(19)10-6-8(17)4-5-13(10)22-15(11)18-12/h4-7H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6469 kcal/mol

Physical Properties
Molecular Weight: 301.273 g/mol	logS: -4.25163	SlogP: 2.90637	Reactive groups: 0

Topological Properties
Globularity: 0.0237577	Sterimol/B1: 2.11928	Sterimol/B2: 2.15865	Sterimol/B3: 3.43973
Sterimol/B4: 7.57382	Sterimol/L: 14.8899

Surface and Volume Properties
Accessible surface: 507.459	Positive charged surface: 317.636	Negative charged surface: 189.823	Volume: 260.625
Hydrophobic surface: 401.126	Hydrophilic surface: 106.333

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.