MMsINC Database Search


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MMsINC code: MMs03006161

Type: Neutral
Formula: C₂₀H₁₉O₃P

SMILES:

P(=O)(C(O)c1ccccc1)(C(O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H19O3P/c21-19(16-10-4-1-5-11-16)24(23,18-14-8-3-9-15-18)20(22)17-12-6-2-7-13-17/h1-15,19-22H/t19-,20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.823 kcal/mol

Physical Properties
Molecular Weight: 338.343 g/mol	logS: -3.8183	SlogP: 3.178	Reactive groups: 0

Topological Properties
Globularity: 0.156193	Sterimol/B1: 3.46533	Sterimol/B2: 3.74846	Sterimol/B3: 5.45162
Sterimol/B4: 5.56332	Sterimol/L: 13.8221

Surface and Volume Properties
Accessible surface: 555.46	Positive charged surface: 310.708	Negative charged surface: 244.752	Volume: 328.75
Hydrophobic surface: 490.25	Hydrophilic surface: 65.21

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	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

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Ions/Tautomers related molecules: no related molecules available.