MMsINC Database Search


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MMsINC code: MMs00975518

Type: Neutral
Formula: C₂₄H₁₉N₃

SMILES:

n1n(c2c(cnc3c2cc(cc3)CC)c1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H19N3/c1-2-17-13-14-22-20(15-17)24-21(16-25-22)23(18-9-5-3-6-10-18)26-27(24)19-11-7-4-8-12-19/h3-16H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.747 kcal/mol

Physical Properties
Molecular Weight: 349.437 g/mol	logS: -7.35833	SlogP: 5.80307	Reactive groups: 0

Topological Properties
Globularity: 0.044536	Sterimol/B1: 2.29019	Sterimol/B2: 3.81716	Sterimol/B3: 4.98396
Sterimol/B4: 7.32941	Sterimol/L: 16.9629

Surface and Volume Properties
Accessible surface: 600.283	Positive charged surface: 339.14	Negative charged surface: 250.683	Volume: 352.25
Hydrophobic surface: 541.191	Hydrophilic surface: 59.092

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.