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MMsINC code: MMs03714403

Type: Ionized
Formula: C₁₉H₂₇NO₃P+

SMILES:

P(OCC[NH+](C)C)(OCC)(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H26NO3P/c1-4-22-24(21,23-16-15-20(2)3)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,4,15-16H2,1-3H3/p+1/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2743 kcal/mol

Physical Properties
Molecular Weight: 348.403 g/mol	logS: -3.34789	SlogP: 2.192	Reactive groups: 0

Topological Properties
Globularity: 0.327319	Sterimol/B1: 2.3024	Sterimol/B2: 4.00262	Sterimol/B3: 7.66951
Sterimol/B4: 7.97494	Sterimol/L: 12.8671

Surface and Volume Properties
Accessible surface: 613.68	Positive charged surface: 452.688	Negative charged surface: 160.992	Volume: 358.25
Hydrophobic surface: 543.295	Hydrophilic surface: 70.385

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 1
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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Parent related molecule:

MMs03714402
PUBCHEM-ZINC06411157