MMsINC Database Search


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MMsINC code: MMs02654288

Type: Neutral
Formula: C₁₉H₂₄N₄O₂

SMILES:

O=C(N1CCN(CC1)C(=O)C)c1n(nc(c1)-c1cc(C)c(cc1)C)C

InChI:

InChI=1/C19H24N4O2/c1-13-5-6-16(11-14(13)2)17-12-18(21(4)20-17)19(25)23-9-7-22(8-10-23)15(3)24/h5-6,11-12H,7-10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.017 kcal/mol

Physical Properties
Molecular Weight: 340.427 g/mol	logS: -3.47379	SlogP: 2.36744	Reactive groups: 0

Topological Properties
Globularity: 0.0370768	Sterimol/B1: 3.08005	Sterimol/B2: 3.19995	Sterimol/B3: 3.38258
Sterimol/B4: 8.64839	Sterimol/L: 16.8764

Surface and Volume Properties
Accessible surface: 614.468	Positive charged surface: 422.5	Negative charged surface: 191.968	Volume: 338.875
Hydrophobic surface: 523.128	Hydrophilic surface: 91.34

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: no related molecules available.