MMsINC Database Search


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MMsINC code: MMs00157382

Type: Neutral
Formula: C₂₄H₂₁N₃

SMILES:

[nH]1cc(c2c1cccc2)C(Cc1ccccc1N)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C24H21N3/c25-22-10-4-1-7-16(22)13-19(20-14-26-23-11-5-2-8-17(20)23)21-15-27-24-12-6-3-9-18(21)24/h1-12,14-15,19,26-27H,13,25H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6807 kcal/mol

Physical Properties
Molecular Weight: 351.453 g/mol	logS: -5.19242	SlogP: 5.60597	Reactive groups: 0

Topological Properties
Globularity: 0.306645	Sterimol/B1: 3.30592	Sterimol/B2: 3.45202	Sterimol/B3: 5.9034
Sterimol/B4: 7.73514	Sterimol/L: 14.5355

Surface and Volume Properties
Accessible surface: 595.044	Positive charged surface: 348.322	Negative charged surface: 240.134	Volume: 357
Hydrophobic surface: 479.53	Hydrophilic surface: 115.514

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 0	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.