MMsINC Database Search


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MMsINC code: MMs02259376

Type: Neutral
Formula: C₁₅H₁₀N₂O

SMILES:

Oc1cc2c3c([nH]c2cc1)cc1c(c3)cncc1

InChI:

InChI=1/C15H10N2O/c18-11-1-2-14-13(7-11)12-5-10-8-16-4-3-9(10)6-15(12)17-14/h1-8,17-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.5046 kcal/mol

Physical Properties
Molecular Weight: 234.258 g/mol	logS: -3.77925	SlogP: 3.5749	Reactive groups: 0

Topological Properties
Globularity: 0.00209201	Sterimol/B1: 2.12643	Sterimol/B2: 2.22604	Sterimol/B3: 3.80087
Sterimol/B4: 4.80516	Sterimol/L: 14.2225

Surface and Volume Properties
Accessible surface: 434.681	Positive charged surface: 255.7	Negative charged surface: 156.751	Volume: 220.25
Hydrophobic surface: 344.609	Hydrophilic surface: 90.072

Pharmacophoric Properties
Hydrogen bond donors: 2	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.