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MMsINC code: MMs00773704

Type: Neutral
Formula: C₁₄H₁₅F₂NO₃

SMILES:

Fc1cc(F)ccc1NC(=O)C1CCCCC1C(O)=O

InChI:

InChI=1/C14H15F2NO3/c15-8-5-6-12(11(16)7-8)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)/t9-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.1547 kcal/mol

Physical Properties
Molecular Weight: 283.274 g/mol	logS: -3.26855	SlogP: 2.7943	Reactive groups: 0

Topological Properties
Globularity: 0.0903131	Sterimol/B1: 2.30849	Sterimol/B2: 4.63453	Sterimol/B3: 4.64877
Sterimol/B4: 4.95587	Sterimol/L: 14.4816

Surface and Volume Properties
Accessible surface: 478.159	Positive charged surface: 284.545	Negative charged surface: 193.614	Volume: 244.125
Hydrophobic surface: 378.755	Hydrophilic surface: 99.404

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00773705
CHEMBRIDGE-ZINC04628467