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MMsINC code: MMs02421269

Type: Neutral
Formula: C₁₅H₁₆N+

SMILES:

[NH3+]C1CCc2c(-c3c1cccc3)cccc2

InChI:

InChI=1/C15H15N/c16-15-10-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-8,15H,9-10,16H2/p+1/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.7214 kcal/mol

Physical Properties
Molecular Weight: 210.3 g/mol	logS: -3.83743	SlogP: 2.67827	Reactive groups: 0

Topological Properties
Globularity: 0.231347	Sterimol/B1: 3.45201	Sterimol/B2: 3.70692	Sterimol/B3: 3.85403
Sterimol/B4: 5.36486	Sterimol/L: 12.2657

Surface and Volume Properties
Accessible surface: 421.287	Positive charged surface: 279.351	Negative charged surface: 139.127	Volume: 227.375
Hydrophobic surface: 369.664	Hydrophilic surface: 51.623

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

MMs02421270
NCID-ZINC04972541