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MMsINC code: MMs02289139

Type: Tautomer
Formula: C₁₅H₁₇N

SMILES:

N(C(Cc1ccccc1)c1ccccc1)C

InChI:

InChI=1/C15H17N/c1-16-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8663 kcal/mol

Physical Properties
Molecular Weight: 211.308 g/mol	logS: -2.95475	SlogP: 3.28527	Reactive groups: 0

Topological Properties
Globularity: 0.139969	Sterimol/B1: 2.16376	Sterimol/B2: 2.56262	Sterimol/B3: 5.12207
Sterimol/B4: 5.81431	Sterimol/L: 14.2351

Surface and Volume Properties
Accessible surface: 454.846	Positive charged surface: 292.741	Negative charged surface: 162.105	Volume: 234.75
Hydrophobic surface: 449.33	Hydrophilic surface: 5.516

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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:

MMs02289138
NCID-ZINC01649100