MMsINC Database Search


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MMsINC code: MMs00375321

Type: Neutral
Formula: C₁₉H₂₄N₄O

SMILES:

O(C)c1cc(ccc1)Cn1c2nc(C)c(N)cc2nc1CCCC

InChI:

InChI=1/C19H24N4O/c1-4-5-9-18-22-17-11-16(20)13(2)21-19(17)23(18)12-14-7-6-8-15(10-14)24-3/h6-8,10-11H,4-5,9,12,20H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7105 kcal/mol

Physical Properties
Molecular Weight: 324.428 g/mol	logS: -4.75456	SlogP: 3.98779	Reactive groups: 0

Topological Properties
Globularity: 0.0935133	Sterimol/B1: 2.96682	Sterimol/B2: 4.30128	Sterimol/B3: 6.46854
Sterimol/B4: 6.67834	Sterimol/L: 15.3633

Surface and Volume Properties
Accessible surface: 602.541	Positive charged surface: 443.239	Negative charged surface: 159.302	Volume: 333.75
Hydrophobic surface: 483.604	Hydrophilic surface: 118.937

Pharmacophoric Properties
Hydrogen bond donors: 1	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.