MMsINC Database Search


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MMsINC code: MMs02671932

Type: Neutral
Formula: C₁₄H₁₀N₂O

SMILES:

[O-][n+]1cnc2c(cccc2)c1-c1ccccc1

InChI:

InChI=1/C14H10N2O/c17-16-10-15-13-9-5-4-8-12(13)14(16)11-6-2-1-3-7-11/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.4468 kcal/mol

Physical Properties
Molecular Weight: 222.247 g/mol	logS: -4.86289	SlogP: 2.5352	Reactive groups: 0

Topological Properties
Globularity: 0.051483	Sterimol/B1: 2.783	Sterimol/B2: 2.88841	Sterimol/B3: 3.79445
Sterimol/B4: 6.0668	Sterimol/L: 12.4119

Surface and Volume Properties
Accessible surface: 417.035	Positive charged surface: 222.114	Negative charged surface: 188.229	Volume: 212.25
Hydrophobic surface: 337.406	Hydrophilic surface: 79.629

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.