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MMsINC code: MMs01895572

Type: Neutral
Formula: C₁₃H₂₂N₄O₃

SMILES:

O=C\1N(CCCC)C(=O)NC(=O)/C/1=C\NCCN(C)C

InChI:

InChI=1/C13H22N4O3/c1-4-5-7-17-12(19)10(11(18)15-13(17)20)9-14-6-8-16(2)3/h9,14H,4-8H2,1-3H3,(H,15,18,20)/b10-9-


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.88222 kcal/mol

Physical Properties
Molecular Weight: 282.344 g/mol	logS: -1.41299	SlogP: -0.1	Reactive groups: 0

Topological Properties
Globularity: 0.0427608	Sterimol/B1: 2.1399	Sterimol/B2: 2.31179	Sterimol/B3: 3.93126
Sterimol/B4: 8.90229	Sterimol/L: 15.4433

Surface and Volume Properties
Accessible surface: 551.834	Positive charged surface: 427.136	Negative charged surface: 124.698	Volume: 277.75
Hydrophobic surface: 379.247	Hydrophilic surface: 172.587

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

MMs01895574
IBS-ZINC04811979