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MMsINC code: MMs00871920

Type: Neutral
Formula: C₁₉H₃₂N₆O₂

SMILES:

O=C1N(C)C(=O)N(c2nc(n(c12)CCCCCC)CN1CCN(CC1)C)C

InChI:

InChI=1/C19H32N6O2/c1-5-6-7-8-9-25-15(14-24-12-10-21(2)11-13-24)20-17-16(25)18(26)23(4)19(27)22(17)3/h5-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.2958 kcal/mol

Physical Properties
Molecular Weight: 376.505 g/mol	logS: -2.51297	SlogP: 2.3854	Reactive groups: 0

Topological Properties
Globularity: 0.160294	Sterimol/B1: 2.34016	Sterimol/B2: 3.56629	Sterimol/B3: 4.73595
Sterimol/B4: 11.8937	Sterimol/L: 15.4885

Surface and Volume Properties
Accessible surface: 685.204	Positive charged surface: 588.125	Negative charged surface: 97.0788	Volume: 379.375
Hydrophobic surface: 563.879	Hydrophilic surface: 121.325

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00871921
CHEMDIV-ZINC02215781