MMsINC Database Search


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MMsINC code: MMs00528387

Type: Neutral
Formula: C₁₇H₁₅N

SMILES:

N(c1ccccc1C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C17H15N/c1-13-6-2-5-9-17(13)18-16-11-10-14-7-3-4-8-15(14)12-16/h2-12,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2135 kcal/mol

Physical Properties
Molecular Weight: 233.314 g/mol	logS: -5.04355	SlogP: 4.89182	Reactive groups: 0

Topological Properties
Globularity: 0.0521686	Sterimol/B1: 2.57203	Sterimol/B2: 2.93561	Sterimol/B3: 3.81523
Sterimol/B4: 5.98456	Sterimol/L: 14.2662

Surface and Volume Properties
Accessible surface: 466.959	Positive charged surface: 258.703	Negative charged surface: 198.917	Volume: 245
Hydrophobic surface: 458.428	Hydrophilic surface: 8.531

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

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: no related molecules available.