MMsINC Database Search


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MMsINC code: MMs03336359

Type: Neutral
Formula: C₁₄H₃₂N₂O₄

SMILES:

OC(C(O)C(O)CN(CC)CC)C(O)CN(CC)CC

InChI:

InChI=1/C14H32N2O4/c1-5-15(6-2)9-11(17)13(19)14(20)12(18)10-16(7-3)8-4/h11-14,17-20H,5-10H2,1-4H3/t11-,12-,13-,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5969 kcal/mol

Physical Properties
Molecular Weight: 292.42 g/mol	logS: 0.115	SlogP: -0.8864	Reactive groups: 0

Topological Properties
Globularity: 0.0753063	Sterimol/B1: 2.29704	Sterimol/B2: 2.55525	Sterimol/B3: 5.22948
Sterimol/B4: 5.50375	Sterimol/L: 16.0735

Surface and Volume Properties
Accessible surface: 585.867	Positive charged surface: 439.999	Negative charged surface: 145.869	Volume: 308.875
Hydrophobic surface: 370.794	Hydrophilic surface: 215.073

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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

MMs03336360
PUBCHEM-ZINC05650159