MMsINC Database Search


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MMsINC code: MMs00074583

Type: Neutral
Formula: C₁₅H₁₄N₂O

SMILES:

O(Cc1[nH]c2c(n1)cccc2)c1ccccc1C

InChI:

InChI=1/C15H14N2O/c1-11-6-2-5-9-14(11)18-10-15-16-12-7-3-4-8-13(12)17-15/h2-9H,10H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.7601 kcal/mol

Physical Properties
Molecular Weight: 238.29 g/mol	logS: -3.61515	SlogP: 3.71672	Reactive groups: 0

Topological Properties
Globularity: 0.0067601	Sterimol/B1: 2.15661	Sterimol/B2: 2.37903	Sterimol/B3: 2.5122
Sterimol/B4: 6.44206	Sterimol/L: 15.9253

Surface and Volume Properties
Accessible surface: 477.469	Positive charged surface: 281.511	Negative charged surface: 195.958	Volume: 240.375
Hydrophobic surface: 434.115	Hydrophilic surface: 43.354

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.