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MMsINC code: MMs03561314

Type: Neutral
Formula: C₁₆H₂₉N₂O₂P

SMILES:

[PH](O)(=O)C(NCc1ccccc1)(CCCN(CC)CC)C

InChI:

InChI=1/C16H29N2O2P/c1-4-18(5-2)13-9-12-16(3,21(19)20)17-14-15-10-7-6-8-11-15/h6-8,10-11,17,21H,4-5,9,12-14H2,1-3H3,(H,19,20)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7476 kcal/mol

Physical Properties
Molecular Weight: 312.394 g/mol	logS: -2.49683	SlogP: 2.2776	Reactive groups: 0

Topological Properties
Globularity: 0.163262	Sterimol/B1: 2.11613	Sterimol/B2: 2.76596	Sterimol/B3: 5.48836
Sterimol/B4: 8.2685	Sterimol/L: 14.6317

Surface and Volume Properties
Accessible surface: 587.246	Positive charged surface: 372.886	Negative charged surface: 214.36	Volume: 323.75
Hydrophobic surface: 443.744	Hydrophilic surface: 143.502

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs03561315
PUBCHEM-ZINC06139166