MMsINC Database Search


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MMsINC code: MMs00448785

Type: Neutral
Formula: C₁₅H₁₂N₂O

SMILES:

O=C1Nc2c(cccc2)C(Nc2ccccc2)=C1

InChI:

InChI=1/C15H12N2O/c18-15-10-14(16-11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-15/h1-10H,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7227 kcal/mol

Physical Properties
Molecular Weight: 236.274 g/mol	logS: -3.87154	SlogP: 3.0917	Reactive groups: 0

Topological Properties
Globularity: 0.126486	Sterimol/B1: 2.92205	Sterimol/B2: 4.10992	Sterimol/B3: 4.21236
Sterimol/B4: 5.64697	Sterimol/L: 12.1992

Surface and Volume Properties
Accessible surface: 442.111	Positive charged surface: 251.714	Negative charged surface: 190.397	Volume: 231.75
Hydrophobic surface: 347.442	Hydrophilic surface: 94.669

Pharmacophoric Properties
Hydrogen bond donors: 2	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.