MMsINC Database Search


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MMsINC code: MMs00895691

Type: Neutral
Formula: C₁₉H₂₄N₄O₃

SMILES:

O=C1N(C=Nc2c1cccc2)CC(=O)NCC(=O)N1CC(CC(C1)C)C

InChI:

InChI=1/C19H24N4O3/c1-13-7-14(2)10-22(9-13)18(25)8-20-17(24)11-23-12-21-16-6-4-3-5-15(16)19(23)26/h3-6,12-14H,7-11H2,1-2H3,(H,20,24)/t13-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9112 kcal/mol

Physical Properties
Molecular Weight: 356.426 g/mol	logS: -3.37858	SlogP: 1.4229	Reactive groups: 0

Topological Properties
Globularity: 0.0453791	Sterimol/B1: 2.30326	Sterimol/B2: 3.33785	Sterimol/B3: 4.218
Sterimol/B4: 6.47607	Sterimol/L: 19.6541

Surface and Volume Properties
Accessible surface: 619.95	Positive charged surface: 426.641	Negative charged surface: 193.31	Volume: 342.5
Hydrophobic surface: 436.511	Hydrophilic surface: 183.439

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.