MMsINC Database Search


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MMsINC code: MMs01078943

Type: Neutral
Formula: C₂₁H₃₇O₄P

SMILES:

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

InChI:

InChI=1/C21H37O4P/c1-14(2)24-26(23,25-15(3)4)13-16-11-17(20(5,6)7)19(22)18(12-16)21(8,9)10/h11-12,14-15,22H,13H2,1-10H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.16 kcal/mol

Physical Properties
Molecular Weight: 384.497 g/mol	logS: -5.73843	SlogP: 5.7265	Reactive groups: 0

Topological Properties
Globularity: 0.135628	Sterimol/B1: 3.50843	Sterimol/B2: 3.89179	Sterimol/B3: 4.83308
Sterimol/B4: 8.48259	Sterimol/L: 14.8939

Surface and Volume Properties
Accessible surface: 656.018	Positive charged surface: 442.587	Negative charged surface: 213.431	Volume: 400.375
Hydrophobic surface: 452.125	Hydrophilic surface: 203.893

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.