MMsINC Database Search


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MMsINC code: MMs03269639

Type: Neutral
Formula: C₂₀H₂₇O₄P

SMILES:

P(Oc1ccc(cc1)C(C)(C)C)(Oc1ccc(cc1)C(C)(C)C)(O)=O

InChI:

InChI=1/C20H27O4P/c1-19(2,3)15-7-11-17(12-8-15)23-25(21,22)24-18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4819 kcal/mol

Physical Properties
Molecular Weight: 362.406 g/mol	logS: -6.96408	SlogP: 4.7696	Reactive groups: 0

Topological Properties
Globularity: 0.0581413	Sterimol/B1: 3.54919	Sterimol/B2: 3.85507	Sterimol/B3: 3.89776
Sterimol/B4: 4.55819	Sterimol/L: 19.2827

Surface and Volume Properties
Accessible surface: 637.542	Positive charged surface: 386.56	Negative charged surface: 250.982	Volume: 357.5
Hydrophobic surface: 454.197	Hydrophilic surface: 183.345

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.