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MMsINC code: MMs02813210

Type: Neutral
Formula: C₁₆H₁₆NO₇P

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)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.5391 kcal/mol

Physical Properties
Molecular Weight: 365.278 g/mol	logS: -3.17473	SlogP: 1.0795	Reactive groups: 0

Topological Properties
Globularity: 0.0565479	Sterimol/B1: 3.03954	Sterimol/B2: 3.33422	Sterimol/B3: 4.68451
Sterimol/B4: 5.64365	Sterimol/L: 18.3056

Surface and Volume Properties
Accessible surface: 599.398	Positive charged surface: 329.778	Negative charged surface: 269.62	Volume: 310
Hydrophobic surface: 337.499	Hydrophilic surface: 261.899

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	Acid groups: 0	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

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Ions/Tautomers related molecules

MMs02813211
PUBCHEM-ZINC01530025