MMsINC Database Search


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

MMsINC code: MMs03443938

Type: Neutral
Formula: C₁₄H₁₇O₄P

SMILES:

P(OC)(OC)(=O)C(O)(C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C14H17O4P/c1-14(15,19(16,17-2)18-3)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,15H,1-3H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6706 kcal/mol

Physical Properties
Molecular Weight: 280.26 g/mol	logS: -3.43779	SlogP: 2.732	Reactive groups: 0

Topological Properties
Globularity: 0.130491	Sterimol/B1: 2.00696	Sterimol/B2: 3.00326	Sterimol/B3: 4.46798
Sterimol/B4: 7.39006	Sterimol/L: 14.795

Surface and Volume Properties
Accessible surface: 489.39	Positive charged surface: 320.205	Negative charged surface: 157.456	Volume: 262.625
Hydrophobic surface: 419.429	Hydrophilic surface: 69.961

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.