MMsINC Database Search


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MMsINC code: MMs03002596

Type: Neutral
Formula: C₁₅H₃₄NO₃P

SMILES:

P(OCCCC)(OCCCC)(=O)CN(C(C)C)C(C)C

InChI:

InChI=1/C15H34NO3P/c1-7-9-11-18-20(17,19-12-10-8-2)13-16(14(3)4)15(5)6/h14-15H,7-13H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.688 kcal/mol

Physical Properties
Molecular Weight: 307.415 g/mol	logS: -2.61201	SlogP: 3.819	Reactive groups: 0

Topological Properties
Globularity: 0.126595	Sterimol/B1: 2.43721	Sterimol/B2: 3.45217	Sterimol/B3: 5.25187
Sterimol/B4: 10.779	Sterimol/L: 14.579

Surface and Volume Properties
Accessible surface: 621.672	Positive charged surface: 455.894	Negative charged surface: 165.778	Volume: 330.375
Hydrophobic surface: 471.266	Hydrophilic surface: 150.406

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
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.