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MMsINC code: MMs02828839

Type: Ionized
Formula: C₁₁H₁₃NO₅P-

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)/p-1/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.2655 kcal/mol

Physical Properties
Molecular Weight: 270.201 g/mol	logS: -1.2948	SlogP: -1.9552	Reactive groups: 0

Topological Properties
Globularity: 0.142965	Sterimol/B1: 2.83159	Sterimol/B2: 2.92415	Sterimol/B3: 4.11111
Sterimol/B4: 5.30526	Sterimol/L: 13.14

Surface and Volume Properties
Accessible surface: 452.324	Positive charged surface: 228.507	Negative charged surface: 223.817	Volume: 232
Hydrophobic surface: 183.084	Hydrophilic surface: 269.24

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 2	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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Parent related molecule:

MMs02828838
PUBCHEM-ZINC01894000