MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02342893

Type: Ionized
Formula: C₁₄H₁₂O₄P-

SMILES:

P(O)(=O)(C(C(=O)[O-])c1ccccc1)c1ccccc1

InChI:

InChI=1/C14H13O4P/c15-14(16)13(11-7-3-1-4-8-11)19(17,18)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)(H,17,18)/p-1/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.68062 kcal/mol

Physical Properties
Molecular Weight: 275.22 g/mol	logS: -2.85969	SlogP: 0.0988	Reactive groups: 0

Topological Properties
Globularity: 0.117198	Sterimol/B1: 3.48503	Sterimol/B2: 3.82856	Sterimol/B3: 4.59466
Sterimol/B4: 4.61085	Sterimol/L: 14.7366

Surface and Volume Properties
Accessible surface: 466.75	Positive charged surface: 211.023	Negative charged surface: 255.727	Volume: 245
Hydrophobic surface: 355.323	Hydrophilic surface: 111.427

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02342892
NCID-ZINC01717465