MMsINC Database Search


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MMsINC code: MMs00581658

Type: Neutral
Formula: C₁₆H₁₉FNO₃P

SMILES:

P(OC)(OC)(=O)C(NCc1ccccc1)c1ccc(F)cc1

InChI:

InChI=1/C16H19FNO3P/c1-20-22(19,21-2)16(14-8-10-15(17)11-9-14)18-12-13-6-4-3-5-7-13/h3-11,16,18H,12H2,1-2H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7929 kcal/mol

Physical Properties
Molecular Weight: 323.304 g/mol	logS: -3.08983	SlogP: 3.3917	Reactive groups: 0

Topological Properties
Globularity: 0.102765	Sterimol/B1: 3.37243	Sterimol/B2: 3.58374	Sterimol/B3: 3.94936
Sterimol/B4: 8.75479	Sterimol/L: 14.365

Surface and Volume Properties
Accessible surface: 566.052	Positive charged surface: 364.493	Negative charged surface: 201.559	Volume: 301.125
Hydrophobic surface: 531.294	Hydrophilic surface: 34.758

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	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: no related molecules available.