MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01896304

Type: Neutral
Formula: C₁₅H₂₆N₄O₃

SMILES:

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

InChI:

InChI=1/C15H26N4O3/c1-4-7-9-19-14(21)12(13(20)17-15(19)22)11-16-8-10-18(5-2)6-3/h11,16H,4-10H2,1-3H3,(H,17,20,22)/b12-11-


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.85687 kcal/mol

Physical Properties
Molecular Weight: 310.398 g/mol	logS: -2.06741	SlogP: 0.6802	Reactive groups: 0

Topological Properties
Globularity: 0.0413791	Sterimol/B1: 2.3013	Sterimol/B2: 2.92127	Sterimol/B3: 3.84584
Sterimol/B4: 9.097	Sterimol/L: 16.2164

Surface and Volume Properties
Accessible surface: 607.561	Positive charged surface: 436.733	Negative charged surface: 170.827	Volume: 311.875
Hydrophobic surface: 394.07	Hydrophilic surface: 213.491

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

search links for this molecule:

Ions/Tautomers related molecules

MMs01896306
IBS-ZINC04812756