MMsINC Database Search


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MMsINC code: MMs01083292

Type: Neutral
Formula: C₁₆H₂₇O₂P

SMILES:

P(=O)(Cc1ccccc1OC)(CCCC)CCCC

InChI:

InChI=1/C16H27O2P/c1-4-6-12-19(17,13-7-5-2)14-15-10-8-9-11-16(15)18-3/h8-11H,4-7,12-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.5766 kcal/mol

Physical Properties
Molecular Weight: 282.364 g/mol	logS: -3.00894	SlogP: 4.3547	Reactive groups: 0

Topological Properties
Globularity: 0.0861992	Sterimol/B1: 2.42865	Sterimol/B2: 3.08223	Sterimol/B3: 3.49277
Sterimol/B4: 9.39952	Sterimol/L: 15.182

Surface and Volume Properties
Accessible surface: 538.752	Positive charged surface: 379.485	Negative charged surface: 159.267	Volume: 305.25
Hydrophobic surface: 471.804	Hydrophilic surface: 66.948

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.