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MMsINC code: MMs02335104

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0446 kcal/mol

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

Topological Properties
Globularity: 0.130846	Sterimol/B1: 2.62652	Sterimol/B2: 5.3637	Sterimol/B3: 5.42714
Sterimol/B4: 6.00197	Sterimol/L: 15.4418

Surface and Volume Properties
Accessible surface: 588.688	Positive charged surface: 374.842	Negative charged surface: 213.845	Volume: 325
Hydrophobic surface: 437.136	Hydrophilic surface: 151.552

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

MMs02335105
NCID-ZINC01706647