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MMsINC code: MMs02305607

Type: Tautomer
Formula: C₁₆H₁₉N

SMILES:

N(C(Cc1ccc(cc1)C)c1ccccc1)C

InChI:

InChI=1/C16H19N/c1-13-8-10-14(11-9-13)12-16(17-2)15-6-4-3-5-7-15/h3-11,16-17H,12H2,1-2H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4459 kcal/mol

Physical Properties
Molecular Weight: 225.335 g/mol	logS: -3.42867	SlogP: 3.59369	Reactive groups: 0

Topological Properties
Globularity: 0.104119	Sterimol/B1: 3.45046	Sterimol/B2: 3.6732	Sterimol/B3: 3.80385
Sterimol/B4: 4.65867	Sterimol/L: 15.2147

Surface and Volume Properties
Accessible surface: 485.65	Positive charged surface: 320.399	Negative charged surface: 165.251	Volume: 252.625
Hydrophobic surface: 479.742	Hydrophilic surface: 5.908

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:

MMs02305606
NCID-ZINC01669541