MMsINC Database Search


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MMsINC code: MMs03652121

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.99423 kcal/mol

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

Topological Properties
Globularity: 0.0400704	Sterimol/B1: 3.43635	Sterimol/B2: 3.72146	Sterimol/B3: 4.0183
Sterimol/B4: 4.85658	Sterimol/L: 20.6106

Surface and Volume Properties
Accessible surface: 611.865	Positive charged surface: 413.378	Negative charged surface: 198.487	Volume: 310.5
Hydrophobic surface: 496.676	Hydrophilic surface: 115.189

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.