MMsINC Database Search


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MMsINC code: MMs01456372

Type: Neutral
Formula: C₁₆H₂₀N₄O₄

SMILES:

O=C1N(CC(=O)NC(=O)NC(C)C)C(=O)NC1(C)c1ccccc1

InChI:

InChI=1/C16H20N4O4/c1-10(2)17-14(23)18-12(21)9-20-13(22)16(3,19-15(20)24)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,19,24)(H2,17,18,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.539 kcal/mol

Physical Properties
Molecular Weight: 332.36 g/mol	logS: -3.18512	SlogP: 0.9993	Reactive groups: 0

Topological Properties
Globularity: 0.0482789	Sterimol/B1: 2.54334	Sterimol/B2: 3.71517	Sterimol/B3: 4.26925
Sterimol/B4: 5.65643	Sterimol/L: 18.6572

Surface and Volume Properties
Accessible surface: 585.494	Positive charged surface: 365.263	Negative charged surface: 220.231	Volume: 307.375
Hydrophobic surface: 351.494	Hydrophilic surface: 234

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.