MMsINC Database Search


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MMsINC code: MMs02334752

Type: Neutral
Formula: C₁₇H₁₅N

SMILES:

n1c2c(cccc2)c(cc1)CCc1ccccc1

InChI:

InChI=1/C17H15N/c1-2-6-14(7-3-1)10-11-15-12-13-18-17-9-5-4-8-16(15)17/h1-9,12-13H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9011 kcal/mol

Physical Properties
Molecular Weight: 233.314 g/mol	logS: -4.46472	SlogP: 4.01994	Reactive groups: 0

Topological Properties
Globularity: 0.0248596	Sterimol/B1: 2.64773	Sterimol/B2: 2.88904	Sterimol/B3: 4.23632
Sterimol/B4: 5.72824	Sterimol/L: 14.5548

Surface and Volume Properties
Accessible surface: 470.433	Positive charged surface: 273.463	Negative charged surface: 192.794	Volume: 247.125
Hydrophobic surface: 448.372	Hydrophilic surface: 22.061

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.