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MMsINC code: MMs02361359

Type: Tautomer
Formula: C₁₆H₁₉N

SMILES:

NC(C(Cc1ccccc1)c1ccccc1)C

InChI:

InChI=1/C16H19N/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11,13,16H,12,17H2,1H3/t13-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.18 kcal/mol

Physical Properties
Molecular Weight: 225.335 g/mol	logS: -3.14241	SlogP: 3.36007	Reactive groups: 0

Topological Properties
Globularity: 0.170143	Sterimol/B1: 2.33761	Sterimol/B2: 2.75506	Sterimol/B3: 5.61231
Sterimol/B4: 5.74504	Sterimol/L: 14.1992

Surface and Volume Properties
Accessible surface: 463.551	Positive charged surface: 285.774	Negative charged surface: 177.777	Volume: 250.875
Hydrophobic surface: 408.986	Hydrophilic surface: 54.565

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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:

MMs02361358
NCID-ZINC01748047