MMsINC Database Search


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MMsINC code: MMs00915650

Type: Neutral
Formula: C₁₈H₁₅FN₂O₃

SMILES:

Fc1ccccc1NC(=O)Cc1c2c(n(C)c1C(O)=O)cccc2

InChI:

InChI=1/C18H15FN2O3/c1-21-15-9-5-2-6-11(15)12(17(21)18(23)24)10-16(22)20-14-8-4-3-7-13(14)19/h2-9H,10H2,1H3,(H,20,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1753 kcal/mol

Physical Properties
Molecular Weight: 326.327 g/mol	logS: -4.01755	SlogP: 3.55597	Reactive groups: 0

Topological Properties
Globularity: 0.119374	Sterimol/B1: 3.42354	Sterimol/B2: 4.1148	Sterimol/B3: 4.60608
Sterimol/B4: 7.53942	Sterimol/L: 14.489

Surface and Volume Properties
Accessible surface: 552.635	Positive charged surface: 325.696	Negative charged surface: 223.602	Volume: 296.5
Hydrophobic surface: 441.334	Hydrophilic surface: 111.301

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

MMs00915651
CHEMDIV-ZINC03660273