MMsINC Database Search


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MMsINC code: MMs00528486

Type: Neutral
Formula: C₁₉H₃₃O₄P

SMILES:

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

InChI:

InChI=1/C19H33O4P/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8/h11-12,20H,9-10,13H2,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2745 kcal/mol

Physical Properties
Molecular Weight: 356.443 g/mol	logS: -5.08401	SlogP: 4.9495	Reactive groups: 0

Topological Properties
Globularity: 0.13852	Sterimol/B1: 2.34501	Sterimol/B2: 3.21765	Sterimol/B3: 5.57391
Sterimol/B4: 8.78383	Sterimol/L: 15.0358

Surface and Volume Properties
Accessible surface: 633.631	Positive charged surface: 438.142	Negative charged surface: 195.489	Volume: 368.5
Hydrophobic surface: 450.134	Hydrophilic surface: 183.497

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.