MMsINC Database Search


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MMsINC code: MMs00432412

Type: Neutral
Formula: C₁₉H₃₇N₃P+

SMILES:

[P+](N(CC)CC)(N(CC)CC)(N(CC)CC)Cc1ccccc1

InChI:

InChI=1/C19H37N3P/c1-7-20(8-2)23(21(9-3)10-4,22(11-5)12-6)18-19-16-14-13-15-17-19/h13-17H,7-12,18H2,1-6H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.59 kcal/mol

Physical Properties
Molecular Weight: 338.5 g/mol	logS: -2.17113	SlogP: 5.241	Reactive groups: 0

Topological Properties
Globularity: 0.411926	Sterimol/B1: 2.56529	Sterimol/B2: 5.82495	Sterimol/B3: 6.03861
Sterimol/B4: 6.93977	Sterimol/L: 13.3914

Surface and Volume Properties
Accessible surface: 555.6	Positive charged surface: 377.943	Negative charged surface: 177.657	Volume: 369.5
Hydrophobic surface: 446.971	Hydrophilic surface: 108.629

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 1
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.