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MMsINC code: MMs03466186

Type: Neutral
Formula: C₁₅H₂₁N

SMILES:

N1(CCCCC12CCCc1c2cccc1)C

InChI:

InChI=1/C15H21N/c1-16-12-5-4-10-15(16)11-6-8-13-7-2-3-9-14(13)15/h2-3,7,9H,4-6,8,10-12H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.6547 kcal/mol

Physical Properties
Molecular Weight: 215.34 g/mol	logS: -2.91134	SlogP: 3.64537	Reactive groups: 0

Topological Properties
Globularity: 0.280571	Sterimol/B1: 2.15933	Sterimol/B2: 3.00123	Sterimol/B3: 5.6325
Sterimol/B4: 6.27578	Sterimol/L: 11.9596

Surface and Volume Properties
Accessible surface: 418.789	Positive charged surface: 318.373	Negative charged surface: 100.416	Volume: 234
Hydrophobic surface: 418.336	Hydrophilic surface: 0.45299999999997

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs03466187
PUBCHEM-ZINC05966407