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MMsINC code: MMs02516887

Type: Neutral
Formula: C₁₆H₁₇O₅P

SMILES:

P1(OC(C(O)C1(O)c1ccccc1)c1ccccc1)(OC)=O

InChI:

InChI=1/C16H17O5P/c1-20-22(19)16(18,13-10-6-3-7-11-13)15(17)14(21-22)12-8-4-2-5-9-12/h2-11,14-15,17-18H,1H3/t14-,15-,16-,22+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.841 kcal/mol

Physical Properties
Molecular Weight: 320.281 g/mol	logS: -2.9469	SlogP: 2.1404	Reactive groups: 0

Topological Properties
Globularity: 0.14143	Sterimol/B1: 2.35713	Sterimol/B2: 2.82237	Sterimol/B3: 4.61363
Sterimol/B4: 8.29012	Sterimol/L: 14.6202

Surface and Volume Properties
Accessible surface: 532.761	Positive charged surface: 322.832	Negative charged surface: 209.93	Volume: 285.125
Hydrophobic surface: 440.202	Hydrophilic surface: 92.559

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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

MMs02516888
NCID-ZINC06010162