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MMsINC code: MMs01817746

Type: Neutral
Formula: C₁₂H₁₆NO₅P

SMILES:

P(O)(=O)(C(Cc1ccccc1)C(O)=O)CN(C=O)C

InChI:

InChI=1/C12H16NO5P/c1-13(8-14)9-19(17,18)11(12(15)16)7-10-5-3-2-4-6-10/h2-6,8,11H,7,9H2,1H3,(H,15,16)(H,17,18)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.8269 kcal/mol

Physical Properties
Molecular Weight: 285.236 g/mol	logS: -0.50521	SlogP: -0.07183	Reactive groups: 0

Topological Properties
Globularity: 0.149765	Sterimol/B1: 2.17376	Sterimol/B2: 2.58872	Sterimol/B3: 4.21007
Sterimol/B4: 7.95093	Sterimol/L: 12.5859

Surface and Volume Properties
Accessible surface: 474.299	Positive charged surface: 305.961	Negative charged surface: 168.338	Volume: 252.75
Hydrophobic surface: 311.113	Hydrophilic surface: 163.186

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs01817747
IBS-ZINC02261591