MMsINC Database Search


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MMsINC code: MMs02309382

Type: Neutral
Formula: C₂₄H₂₁N₃

SMILES:

n1c(Cc2ccccc2)c(-c2ccccc2)c(nc1Cc1ccccc1)N

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.2551 kcal/mol

Physical Properties
Molecular Weight: 351.453 g/mol	logS: -6.33686	SlogP: 4.90734	Reactive groups: 0

Topological Properties
Globularity: 0.169788	Sterimol/B1: 2.33152	Sterimol/B2: 3.34509	Sterimol/B3: 5.05536
Sterimol/B4: 9.57367	Sterimol/L: 15.1951

Surface and Volume Properties
Accessible surface: 606.184	Positive charged surface: 389.51	Negative charged surface: 215.846	Volume: 361
Hydrophobic surface: 531.92	Hydrophilic surface: 74.264

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

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Ions/Tautomers related molecules: no related molecules available.