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MMsINC code: MMs01681431

Type: Neutral
Formula: C₁₈H₁₇F₂N₂O₃-

SMILES:

Fc1cc(NC(CC(=O)[O-])C(=O)Nc2c(cccc2C)C)ccc1F

InChI:

InChI=1/C18H18F2N2O3/c1-10-4-3-5-11(2)17(10)22-18(25)15(9-16(23)24)21-12-6-7-13(19)14(20)8-12/h3-8,15,21H,9H2,1-2H3,(H,22,25)(H,23,24)/p-1/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8538 kcal/mol

Physical Properties
Molecular Weight: 347.341 g/mol	logS: -4.22688	SlogP: 2.14084	Reactive groups: 0

Topological Properties
Globularity: 0.0786107	Sterimol/B1: 3.15216	Sterimol/B2: 4.14789	Sterimol/B3: 5.21978
Sterimol/B4: 6.60742	Sterimol/L: 15.2108

Surface and Volume Properties
Accessible surface: 555.874	Positive charged surface: 287.596	Negative charged surface: 268.279	Volume: 312.125
Hydrophobic surface: 456.941	Hydrophilic surface: 98.933

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 2	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

MMs01681432
ENAMINE-ZINC06590273