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MMsINC code: MMs02245338

Type: Neutral
Formula: C₁₆H₁₈NO₆P

SMILES:

P(O)(O)(=O)C(NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1

InChI:

InChI=1/C16H18NO6P/c18-13-8-6-11(7-9-13)10-14(16(19)20)17-15(24(21,22)23)12-4-2-1-3-5-12/h1-9,14-15,17-18H,10H2,(H,19,20)(H2,21,22,23)/t14-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0223 kcal/mol

Physical Properties
Molecular Weight: 351.295 g/mol	logS: -1.79985	SlogP: 0.87927	Reactive groups: 0

Topological Properties
Globularity: 0.355944	Sterimol/B1: 2.34798	Sterimol/B2: 2.84686	Sterimol/B3: 5.84119
Sterimol/B4: 8.69092	Sterimol/L: 12.7348

Surface and Volume Properties
Accessible surface: 531.678	Positive charged surface: 293.443	Negative charged surface: 238.234	Volume: 306.75
Hydrophobic surface: 282.712	Hydrophilic surface: 248.966

Pharmacophoric Properties
Hydrogen bond donors: 7	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

MMs02245339
NCID-ZINC01590380