MMsINC Database Search


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MMsINC code: MMs00778018

Type: Neutral
Formula: C₁₅H₁₀FNO₅

SMILES:

Fc1ccccc1C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O

InChI:

InChI=1/C15H10FNO5/c16-12-4-2-1-3-11(12)13(18)17-10-6-8(14(19)20)5-9(7-10)15(21)22/h1-7H,(H,17,18)(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9132 kcal/mol

Physical Properties
Molecular Weight: 303.245 g/mol	logS: -3.58865	SlogP: 2.4744	Reactive groups: 0

Topological Properties
Globularity: 0.0193842	Sterimol/B1: 2.097	Sterimol/B2: 3.35515	Sterimol/B3: 3.92123
Sterimol/B4: 6.4614	Sterimol/L: 15.3861

Surface and Volume Properties
Accessible surface: 504.548	Positive charged surface: 260.118	Negative charged surface: 244.431	Volume: 255
Hydrophobic surface: 274.619	Hydrophilic surface: 229.929

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

MMs00778019
CHEMBRIDGE-ZINC04701021