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MMsINC code: MMs02813211

Type: Ionized
Formula: C₁₆H₁₅NO₇P-

SMILES:

P(Oc1cc(ccc1)C(=O)[O-])(OCC(C(=O)N)c1ccccc1)(O)=O

InChI:

InChI=1/C16H16NO7P/c17-15(18)14(11-5-2-1-3-6-11)10-23-25(21,22)24-13-8-4-7-12(9-13)16(19)20/h1-9,14H,10H2,(H2,17,18)(H,19,20)(H,21,22)/p-1/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.61743 kcal/mol

Physical Properties
Molecular Weight: 364.27 g/mol	logS: -3.43518	SlogP: -0.2552	Reactive groups: 0

Topological Properties
Globularity: 0.0501667	Sterimol/B1: 3.47187	Sterimol/B2: 3.62063	Sterimol/B3: 3.62635
Sterimol/B4: 5.62128	Sterimol/L: 18.9917

Surface and Volume Properties
Accessible surface: 599.505	Positive charged surface: 302.025	Negative charged surface: 297.48	Volume: 310.375
Hydrophobic surface: 342.424	Hydrophilic surface: 257.081

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02813210
PUBCHEM-ZINC01530025