MMsINC Database Search


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MMsINC code: MMs01101938

Type: Neutral
Formula: C₂₂H₂₃O₃P

SMILES:

P(=O)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)(CO)C

InChI:

InChI=1/C22H23O3P/c1-26(24,17-23)18-25-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,23H,17-18H2,1H3/t26-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=198.457 kcal/mol

Physical Properties
Molecular Weight: 366.397 g/mol	logS: -3.75706	SlogP: 4.1366	Reactive groups: 0

Topological Properties
Globularity: 0.374218	Sterimol/B1: 2.77592	Sterimol/B2: 3.38406	Sterimol/B3: 7.2406
Sterimol/B4: 8.36034	Sterimol/L: 14.4935

Surface and Volume Properties
Accessible surface: 584.366	Positive charged surface: 371.829	Negative charged surface: 212.538	Volume: 355.375
Hydrophobic surface: 513.94	Hydrophilic surface: 70.426

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: no related molecules available.