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ACROSORGANICS-ZINC00389796

MMsINC code: MMs00007217

Type: Neutral
Formula: C₇H₆FNO₂

SMILES:

Fc1cc(N)c(cc1)C(O)=O

InChI:

InChI=1/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.2609 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 155.128 g/mol	logS: -1.37014	SlogP: 1.1061	Reactive groups: 0

Topological Properties
Globularity: 0.000719299	Sterimol/B1: 2.10415	Sterimol/B2: 2.11515	Sterimol/B3: 2.42961
Sterimol/B4: 5.79538	Sterimol/L: 10.0613

Surface and Volume Properties
Accessible surface: 307.921	Positive charged surface: 170.815	Negative charged surface: 137.105	Volume: 128.75
Hydrophobic surface: 170.273	Hydrophilic surface: 137.648

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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

MMs00007218
ACROSORGANICS-ZINC00389796