MMsINC Database Search


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MMsINC code: MMs01896097

Type: Neutral
Formula: C₁₅H₂₄N₄O₄

SMILES:

O1CCN(CC1)CCN\C=C/1\C(=O)N(CCCC)C(=O)NC\1=O

InChI:

InChI=1/C15H24N4O4/c1-2-3-5-19-14(21)12(13(20)17-15(19)22)11-16-4-6-18-7-9-23-10-8-18/h11,16H,2-10H2,1H3,(H,17,20,22)/b12-11-


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.2165 kcal/mol

Physical Properties
Molecular Weight: 324.381 g/mol	logS: -1.70447	SlogP: -0.3294	Reactive groups: 0

Topological Properties
Globularity: 0.0424064	Sterimol/B1: 2.31765	Sterimol/B2: 2.36677	Sterimol/B3: 4.21301
Sterimol/B4: 9.18344	Sterimol/L: 16.324

Surface and Volume Properties
Accessible surface: 599.013	Positive charged surface: 461.897	Negative charged surface: 137.115	Volume: 308.375
Hydrophobic surface: 417.056	Hydrophilic surface: 181.957

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs01896099
IBS-ZINC04812522