MMsINC Database Search


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MMsINC code: MMs00124581

Type: Neutral
Formula: C₁₇H₁₄N₂O₂

SMILES:

O(C)c1ccccc1C(=O)Nc1c2ncccc2ccc1

InChI:

InChI=1/C17H14N2O2/c1-21-15-10-3-2-8-13(15)17(20)19-14-9-4-6-12-7-5-11-18-16(12)14/h2-11H,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.234 kcal/mol

Physical Properties
Molecular Weight: 278.311 g/mol	logS: -3.99379	SlogP: 3.4957	Reactive groups: 0

Topological Properties
Globularity: 0.0209452	Sterimol/B1: 2.31274	Sterimol/B2: 2.91695	Sterimol/B3: 3.38096
Sterimol/B4: 7.14585	Sterimol/L: 14.5213

Surface and Volume Properties
Accessible surface: 517.652	Positive charged surface: 337.85	Negative charged surface: 174.625	Volume: 268.125
Hydrophobic surface: 470.103	Hydrophilic surface: 47.549

Pharmacophoric Properties
Hydrogen bond donors: 1	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.