MMsINC Database Search


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MMsINC code: MMs02697065

Type: Neutral
Formula: C₂₃H₂₃N₃

SMILES:

n1c2c(n(Cc3ccccc3)c1Nc1c(cc(cc1C)C)C)cccc2

InChI:

InChI=1/C23H23N3/c1-16-13-17(2)22(18(3)14-16)25-23-24-20-11-7-8-12-21(20)26(23)15-19-9-5-4-6-10-19/h4-14H,15H2,1-3H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3315 kcal/mol

Physical Properties
Molecular Weight: 341.458 g/mol	logS: -6.48341	SlogP: 6.01986	Reactive groups: 0

Topological Properties
Globularity: 0.185323	Sterimol/B1: 3.71009	Sterimol/B2: 5.47552	Sterimol/B3: 5.90585
Sterimol/B4: 6.59937	Sterimol/L: 15.3508

Surface and Volume Properties
Accessible surface: 608.38	Positive charged surface: 353.903	Negative charged surface: 254.476	Volume: 357.75
Hydrophobic surface: 585.653	Hydrophilic surface: 22.727

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.