MMsINC Database Search


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MMsINC code: MMs02815231

Type: Neutral
Formula: C₁₅H₁₂N₂

SMILES:

n1c2c(cc(C)c1-c1ccncc1)cccc2

InChI:

InChI=1/C15H12N2/c1-11-10-13-4-2-3-5-14(13)17-15(11)12-6-8-16-9-7-12/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.3139 kcal/mol

Physical Properties
Molecular Weight: 220.275 g/mol	logS: -3.27093	SlogP: 3.60522	Reactive groups: 0

Topological Properties
Globularity: 0.0410538	Sterimol/B1: 2.31939	Sterimol/B2: 2.32894	Sterimol/B3: 3.25023
Sterimol/B4: 6.57387	Sterimol/L: 13.4222

Surface and Volume Properties
Accessible surface: 436.631	Positive charged surface: 270.1	Negative charged surface: 158.943	Volume: 223.75
Hydrophobic surface: 402.758	Hydrophilic surface: 33.873

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.