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MMsINC code: MMs02422319

Type: Tautomer
Formula: C₂₄H₂₅N

SMILES:

N(Cc1cccc(C)c1C=C(c1ccccc1)c1ccccc1)(C)C

InChI:

InChI=1/C24H25N/c1-19-11-10-16-22(18-25(2)3)23(19)17-24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-17H,18H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.881 kcal/mol

Physical Properties
Molecular Weight: 327.471 g/mol	logS: -6.38192	SlogP: 5.72921	Reactive groups: 0

Topological Properties
Globularity: 0.357796	Sterimol/B1: 2.15276	Sterimol/B2: 2.54718	Sterimol/B3: 6.88458
Sterimol/B4: 8.46122	Sterimol/L: 13.6707

Surface and Volume Properties
Accessible surface: 559.417	Positive charged surface: 378.499	Negative charged surface: 180.918	Volume: 360.875
Hydrophobic surface: 553.325	Hydrophilic surface: 6.092

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Parent related molecule:

MMs02422318
NCID-ZINC04974324