MMsINC Database Search


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MMsINC code: MMs03237743

Type: Neutral
Formula: C₂₃H₂₂N₂

SMILES:

n1c2c(cccc2)c(Nc2ccccc2C(C)(C)C)c2c1cccc2

InChI:

InChI=1/C23H22N2/c1-23(2,3)18-12-6-9-15-21(18)25-22-16-10-4-7-13-19(16)24-20-14-8-5-11-17(20)22/h4-15H,1-3H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=226.257 kcal/mol

Physical Properties
Molecular Weight: 326.443 g/mol	logS: -7.14655	SlogP: 6.4291	Reactive groups: 0

Topological Properties
Globularity: 0.271134	Sterimol/B1: 2.19695	Sterimol/B2: 2.59265	Sterimol/B3: 6.66066
Sterimol/B4: 8.64126	Sterimol/L: 14.0238

Surface and Volume Properties
Accessible surface: 529.208	Positive charged surface: 321.959	Negative charged surface: 202.478	Volume: 331.375
Hydrophobic surface: 468.46	Hydrophilic surface: 60.748

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.