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MMsINC code: MMs01301198

Type: Neutral
Formula: C₁₅H₁₆FNO₃P-

SMILES:

P(=O)([O-])([O-])C([NH2+]C(C)c1ccccc1)c1ccc(F)cc1

InChI:

InChI=1/C15H17FNO3P/c1-11(12-5-3-2-4-6-12)17-15(21(18,19)20)13-7-9-14(16)10-8-13/h2-11,15,17H,1H3,(H2,18,19,20)/p-1/t11-,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.1935 kcal/mol

Physical Properties
Molecular Weight: 308.269 g/mol	logS: -2.84533	SlogP: 0.1834	Reactive groups: 0

Topological Properties
Globularity: 0.170315	Sterimol/B1: 2.18758	Sterimol/B2: 2.44558	Sterimol/B3: 5.78068
Sterimol/B4: 6.85546	Sterimol/L: 14.5328

Surface and Volume Properties
Accessible surface: 505.261	Positive charged surface: 243.226	Negative charged surface: 262.035	Volume: 280.5
Hydrophobic surface: 388.788	Hydrophilic surface: 116.473

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 3	Basic groups: 1
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

MMs01301199
ENAMINE-ZINC03191054