MMsINC Database Search


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MMsINC code: MMs01085378

Type: Neutral
Formula: C₂₃H₄₁O₄P

SMILES:

P(OCC(C)C)(OCC(C)C)(=O)Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C

InChI:

InChI=1/C23H41O4P/c1-16(2)13-26-28(25,27-14-17(3)4)15-18-11-19(22(5,6)7)21(24)20(12-18)23(8,9)10/h11-12,16-17,24H,13-15H2,1-10H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.386 kcal/mol

Physical Properties
Molecular Weight: 412.551 g/mol	logS: -5.89109	SlogP: 6.2217	Reactive groups: 0

Topological Properties
Globularity: 0.13239	Sterimol/B1: 2.38471	Sterimol/B2: 2.7093	Sterimol/B3: 6.62728
Sterimol/B4: 9.12136	Sterimol/L: 16.2543

Surface and Volume Properties
Accessible surface: 720.371	Positive charged surface: 499.612	Negative charged surface: 220.759	Volume: 436.75
Hydrophobic surface: 510.156	Hydrophilic surface: 210.215

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.