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MMsINC code: MMs02885829

Type: Neutral
Formula: C₁₀H₁₂NO₅P

SMILES:

P(O)(O)(=O)c1cc2c(cc1)C(N)(CC2)C(O)=O

InChI:

InChI=1/C10H12NO5P/c11-10(9(12)13)4-3-6-5-7(17(14,15)16)1-2-8(6)10/h1-2,5H,3-4,11H2,(H,12,13)(H2,14,15,16)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.0058 kcal/mol

Physical Properties
Molecular Weight: 257.182 g/mol	logS: -0.79128	SlogP: -1.08433	Reactive groups: 0

Topological Properties
Globularity: 0.100846	Sterimol/B1: 2.89176	Sterimol/B2: 3.54623	Sterimol/B3: 3.59359
Sterimol/B4: 5.61257	Sterimol/L: 11.7439

Surface and Volume Properties
Accessible surface: 435.126	Positive charged surface: 245.619	Negative charged surface: 189.506	Volume: 210.25
Hydrophobic surface: 170.839	Hydrophilic surface: 264.287

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

MMs02885830
PUBCHEM-ZINC02379522