MMsINC Database Search


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MMsINC code: MMs02827186

Type: Neutral
Formula: C₁₈H₁₄FNO₄

SMILES:

Fc1ccc(cc1)C1=Nc2cc(ccc2OC1=O)C(C(OC)=O)C

InChI:

InChI=1/C18H14FNO4/c1-10(17(21)23-2)12-5-8-15-14(9-12)20-16(18(22)24-15)11-3-6-13(19)7-4-11/h3-10H,1-2H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.928 kcal/mol

Physical Properties
Molecular Weight: 327.311 g/mol	logS: -5.45511	SlogP: 3.142	Reactive groups: 0

Topological Properties
Globularity: 0.0635247	Sterimol/B1: 2.34529	Sterimol/B2: 4.17998	Sterimol/B3: 5.23595
Sterimol/B4: 6.12865	Sterimol/L: 17.7544

Surface and Volume Properties
Accessible surface: 557.051	Positive charged surface: 331.106	Negative charged surface: 225.944	Volume: 291.625
Hydrophobic surface: 443.565	Hydrophilic surface: 113.486

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.