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MMsINC code: MMs01841559

Type: Neutral
Formula: C₁₅H₂₁O₇P

SMILES:

P(O)(=O)(C(O)(C)c1ccccc1)CC(CC(OC)=O)C(OC)=O

InChI:

InChI=1/C15H21O7P/c1-15(18,12-7-5-4-6-8-12)23(19,20)10-11(14(17)22-3)9-13(16)21-2/h4-8,11,18H,9-10H2,1-3H3,(H,19,20)/t11-,15+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1956 kcal/mol

Physical Properties
Molecular Weight: 344.3 g/mol	logS: -1.41491	SlogP: 0.7156	Reactive groups: 1

Topological Properties
Globularity: 0.0925204	Sterimol/B1: 1.969	Sterimol/B2: 3.22097	Sterimol/B3: 5.20647
Sterimol/B4: 7.49088	Sterimol/L: 17.115

Surface and Volume Properties
Accessible surface: 572.223	Positive charged surface: 391.653	Negative charged surface: 180.57	Volume: 310.125
Hydrophobic surface: 439.232	Hydrophilic surface: 132.991

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs01841560
IBS-ZINC02354893