MMsINC Database Search


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MMsINC code: MMs00074633

Type: Neutral
Formula: C₁₆H₁₀FNO₄

SMILES:

Fc1ccc(cc1)C=1OC(=O)c2cc(OC(=O)C)ccc2N=1

InChI:

InChI=1/C16H10FNO4/c1-9(19)21-12-6-7-14-13(8-12)16(20)22-15(18-14)10-2-4-11(17)5-3-10/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.5882 kcal/mol

Physical Properties
Molecular Weight: 299.257 g/mol	logS: -5.16366	SlogP: 2.9997	Reactive groups: 0

Topological Properties
Globularity: 0.0154387	Sterimol/B1: 2.82355	Sterimol/B2: 3.13138	Sterimol/B3: 4.35668
Sterimol/B4: 4.45811	Sterimol/L: 17.408

Surface and Volume Properties
Accessible surface: 509.235	Positive charged surface: 261.576	Negative charged surface: 247.659	Volume: 258.625
Hydrophobic surface: 397.113	Hydrophilic surface: 112.122

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.