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APOLLO-ZINC02386508

MMsINC code: MMs00052050

Type: Neutral
Formula: C₇H₅FO₃

SMILES:

Fc1ccc(O)cc1C(O)=O

InChI:

InChI=1/C7H5FO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,(H,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.2909 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 156.112 g/mol	logS: -1.28731	SlogP: 1.2295	Reactive groups: 0

Topological Properties
Globularity: 0.00811721	Sterimol/B1: 2.15001	Sterimol/B2: 2.22291	Sterimol/B3: 3.63131
Sterimol/B4: 4.14684	Sterimol/L: 9.64267

Surface and Volume Properties
Accessible surface: 305.814	Positive charged surface: 163.154	Negative charged surface: 142.66	Volume: 126.625
Hydrophobic surface: 161.907	Hydrophilic surface: 143.907

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00052051
APOLLO-ZINC02386508