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MMsINC code: MMs02828838

Type: Neutral
Formula: C₁₁H₁₄NO₅P

SMILES:

P(O)(O)(=O)c1ccc(cc1)C(N)(C(O)=O)C1CC1

InChI:

InChI=1/C11H14NO5P/c12-11(10(13)14,7-1-2-7)8-3-5-9(6-4-8)18(15,16)17/h3-7H,1-2,12H2,(H,13,14)(H2,15,16,17)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.6211 kcal/mol

Physical Properties
Molecular Weight: 271.209 g/mol	logS: -1.03435	SlogP: -0.6205	Reactive groups: 0

Topological Properties
Globularity: 0.142719	Sterimol/B1: 2.51728	Sterimol/B2: 2.64239	Sterimol/B3: 4.90946
Sterimol/B4: 4.99607	Sterimol/L: 13.0262

Surface and Volume Properties
Accessible surface: 456.724	Positive charged surface: 256.823	Negative charged surface: 199.901	Volume: 229.375
Hydrophobic surface: 178.081	Hydrophilic surface: 278.643

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02828839
PUBCHEM-ZINC01894000