MMsINC Database Search


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MMsINC code: MMs03309114

Type: Neutral
Formula: C₁₄H₂₇N₃P+

SMILES:

[P+](N(CC)CC)(N(CC)CC)(C)c1ccncc1

InChI:

InChI=1/C14H27N3P/c1-6-16(7-2)18(5,17(8-3)9-4)14-10-12-15-13-11-14/h10-13H,6-9H2,1-5H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1406 kcal/mol

Physical Properties
Molecular Weight: 268.365 g/mol	logS: -0.54166	SlogP: 2.8679	Reactive groups: 0

Topological Properties
Globularity: 0.456405	Sterimol/B1: 2.32521	Sterimol/B2: 2.60112	Sterimol/B3: 5.96371
Sterimol/B4: 8.80385	Sterimol/L: 10.6863

Surface and Volume Properties
Accessible surface: 491.578	Positive charged surface: 370.836	Negative charged surface: 120.742	Volume: 293.25
Hydrophobic surface: 381.822	Hydrophilic surface: 109.756

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.