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MMsINC code: MMs02407184

Type: Tautomer
Formula: C₁₇H₁₉N

SMILES:

N(Cc1ccccc1)(C\C=C/c1ccccc1)C

InChI:

InChI=1/C17H19N/c1-18(15-17-11-6-3-7-12-17)14-8-13-16-9-4-2-5-10-16/h2-13H,14-15H2,1H3/b13-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7575 kcal/mol

Physical Properties
Molecular Weight: 237.346 g/mol	logS: -3.53005	SlogP: 4.0982	Reactive groups: 0

Topological Properties
Globularity: 0.113551	Sterimol/B1: 2.12816	Sterimol/B2: 3.5732	Sterimol/B3: 4.33021
Sterimol/B4: 6.67108	Sterimol/L: 14.1582

Surface and Volume Properties
Accessible surface: 505.346	Positive charged surface: 316.511	Negative charged surface: 188.835	Volume: 265
Hydrophobic surface: 483.91	Hydrophilic surface: 21.436

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs02407183
NCID-ZINC04801947