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MMsINC code: MMs00847630

Type: Neutral
Formula: C₁₉H₂₆N₄O₂

SMILES:

O(C)c1cc(NC(=O)N(C(C)c2cccnc2)CCN(C)C)ccc1

InChI:

InChI=1/C19H26N4O2/c1-15(16-7-6-10-20-14-16)23(12-11-22(2)3)19(24)21-17-8-5-9-18(13-17)25-4/h5-10,13-15H,11-12H2,1-4H3,(H,21,24)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9958 kcal/mol

Physical Properties
Molecular Weight: 342.443 g/mol	logS: -2.10744	SlogP: 3.3424	Reactive groups: 0

Topological Properties
Globularity: 0.158266	Sterimol/B1: 2.16624	Sterimol/B2: 4.59554	Sterimol/B3: 6.27499
Sterimol/B4: 7.2547	Sterimol/L: 15.9848

Surface and Volume Properties
Accessible surface: 619.988	Positive charged surface: 468.979	Negative charged surface: 151.009	Volume: 347.875
Hydrophobic surface: 557.038	Hydrophilic surface: 62.95

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00847631
CHEMDIV-ZINC00262112