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MMsINC code: MMs01915154

Type: Neutral
Formula: C₁₆H₂₈N₄O₃

SMILES:

O=C\1N(CCCC)C(=O)NC(=O)/C/1=C\NCCCN(CC)CC

InChI:

InChI=1/C16H28N4O3/c1-4-7-11-20-15(22)13(14(21)18-16(20)23)12-17-9-8-10-19(5-2)6-3/h12,17H,4-11H2,1-3H3,(H,18,21,23)/b13-12-


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.92959 kcal/mol

Physical Properties
Molecular Weight: 324.425 g/mol	logS: -2.26918	SlogP: 1.0703	Reactive groups: 0

Topological Properties
Globularity: 0.058101	Sterimol/B1: 2.46331	Sterimol/B2: 2.60573	Sterimol/B3: 4.97202
Sterimol/B4: 9.69538	Sterimol/L: 16.4782

Surface and Volume Properties
Accessible surface: 639.807	Positive charged surface: 466.506	Negative charged surface: 173.301	Volume: 325.5
Hydrophobic surface: 425.791	Hydrophilic surface: 214.016

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01915157
IBS-ZINC05026794