MMsINC Database Search


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MMsINC code: MMs01740877

Type: Neutral
Formula: C₁₆H₁₄FNO₄

SMILES:

Fc1ccc(NC2OC(=O)c3c2ccc(OC)c3OC)cc1

InChI:

InChI=1/C16H14FNO4/c1-20-12-8-7-11-13(14(12)21-2)16(19)22-15(11)18-10-5-3-9(17)4-6-10/h3-8,15,18H,1-2H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1753 kcal/mol

Physical Properties
Molecular Weight: 303.289 g/mol	logS: -3.75628	SlogP: 3.2195	Reactive groups: 0

Topological Properties
Globularity: 0.0498656	Sterimol/B1: 2.21293	Sterimol/B2: 3.18246	Sterimol/B3: 3.5304
Sterimol/B4: 7.26064	Sterimol/L: 16.0596

Surface and Volume Properties
Accessible surface: 520.154	Positive charged surface: 335.269	Negative charged surface: 184.885	Volume: 272.125
Hydrophobic surface: 431.051	Hydrophilic surface: 89.103

Pharmacophoric Properties
Hydrogen bond donors: 1	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.