MMsINC Database Search


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MMsINC code: MMs03372895

Type: Neutral
Formula: C₁₆H₂₇O₃P

SMILES:

[PH](Oc1ccccc1)(OCCCCCCCC(C)C)=O

InChI:

InChI=1/C16H27O3P/c1-15(2)11-7-4-3-5-10-14-18-20(17)19-16-12-8-6-9-13-16/h6,8-9,12-13,15,20H,3-5,7,10-11,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.1209 kcal/mol

Physical Properties
Molecular Weight: 298.363 g/mol	logS: -6.06031	SlogP: 4.3981	Reactive groups: 0

Topological Properties
Globularity: 0.0160975	Sterimol/B1: 2.62232	Sterimol/B2: 2.92186	Sterimol/B3: 3.16162
Sterimol/B4: 4.4273	Sterimol/L: 22.5126

Surface and Volume Properties
Accessible surface: 626.675	Positive charged surface: 418.069	Negative charged surface: 208.606	Volume: 312.375
Hydrophobic surface: 530.945	Hydrophilic surface: 95.73

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.