MMsINC Database Search


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MMsINC code: MMs03652120

Type: Neutral
Formula: C₁₆H₂₇O₃P

SMILES:

P(OCC(Cc1ccccc1)C)(O)(=O)CCCCCC

InChI:

InChI=1/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.0205 kcal/mol

Physical Properties
Molecular Weight: 298.363 g/mol	logS: -3.57375	SlogP: 3.57727	Reactive groups: 0

Topological Properties
Globularity: 0.0396196	Sterimol/B1: 3.25269	Sterimol/B2: 3.98009	Sterimol/B3: 3.98083
Sterimol/B4: 4.78067	Sterimol/L: 20.663

Surface and Volume Properties
Accessible surface: 610.599	Positive charged surface: 411.717	Negative charged surface: 198.882	Volume: 311.375
Hydrophobic surface: 493.158	Hydrophilic surface: 117.441

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.