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MMsINC code: MMs02851481

Type: Neutral
Formula: C₁₅H₁₇N

SMILES:

NC(Cc1ccc(cc1)-c1ccccc1)C

InChI:

InChI=1/C15H17N/c1-12(16)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12H,11,16H2,1H3/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5961 kcal/mol

Physical Properties
Molecular Weight: 211.308 g/mol	logS: -3.86486	SlogP: 3.24327	Reactive groups: 0

Topological Properties
Globularity: 0.0406887	Sterimol/B1: 2.94178	Sterimol/B2: 3.29676	Sterimol/B3: 3.52098
Sterimol/B4: 3.91221	Sterimol/L: 15.2031

Surface and Volume Properties
Accessible surface: 451.723	Positive charged surface: 262.289	Negative charged surface: 179.077	Volume: 235
Hydrophobic surface: 384.246	Hydrophilic surface: 67.477

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

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Ions/Tautomers related molecules

MMs02851482
PUBCHEM-ZINC02015004