MMsINC Database Search


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MMsINC code: MMs02696923

Type: Neutral
Formula: C₂₃H₂₃N₃

SMILES:

n1c2c(n(Cc3ccc(cc3)C)c1Nc1cc(ccc1C)C)cccc2

InChI:

InChI=1/C23H23N3/c1-16-9-12-19(13-10-16)15-26-22-7-5-4-6-20(22)24-23(26)25-21-14-17(2)8-11-18(21)3/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)=92.8218 kcal/mol

Physical Properties
Molecular Weight: 341.458 g/mol	logS: -6.79686	SlogP: 6.01986	Reactive groups: 0

Topological Properties
Globularity: 0.171858	Sterimol/B1: 2.11237	Sterimol/B2: 2.15945	Sterimol/B3: 5.99711
Sterimol/B4: 10.2813	Sterimol/L: 14.3134

Surface and Volume Properties
Accessible surface: 627.494	Positive charged surface: 366.805	Negative charged surface: 260.689	Volume: 357.5
Hydrophobic surface: 595.578	Hydrophilic surface: 31.916

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.