MMsINC Database Search


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

MMsINC code: MMs02299484

Type: Neutral
Formula: C₂₀H₁₆NO₄P

SMILES:

P(Oc1ccccc1)(Oc1ccccc1)(Oc1c2c([nH]c1)cccc2)=O

InChI:

InChI=1/C20H16NO4P/c22-26(23-16-9-3-1-4-10-16,24-17-11-5-2-6-12-17)25-20-15-21-19-14-8-7-13-18(19)20/h1-15,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.299 kcal/mol

Physical Properties
Molecular Weight: 365.325 g/mol	logS: -5.26208	SlogP: 4.7426	Reactive groups: 0

Topological Properties
Globularity: 0.0747123	Sterimol/B1: 2.88558	Sterimol/B2: 2.89633	Sterimol/B3: 4.10819
Sterimol/B4: 10.3409	Sterimol/L: 15.1333

Surface and Volume Properties
Accessible surface: 584.133	Positive charged surface: 290.212	Negative charged surface: 291.096	Volume: 333.375
Hydrophobic surface: 499.629	Hydrophilic surface: 84.504

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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:

Ions/Tautomers related molecules: no related molecules available.