MMsINC Database Search


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MMsINC code: MMs00477971

Type: Neutral
Formula: C₁₇H₁₄N₂O₂

SMILES:

O(C)c1cc2N(C)C(=O)c3c([nH]c4c3cccc4)-c2cc1

InChI:

InChI=1/C17H14N2O2/c1-19-14-9-10(21-2)7-8-12(14)16-15(17(19)20)11-5-3-4-6-13(11)18-16/h3-9,18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3913 kcal/mol

Physical Properties
Molecular Weight: 278.311 g/mol	logS: -4.33884	SlogP: 3.4335	Reactive groups: 0

Topological Properties
Globularity: 0.00707	Sterimol/B1: 2.1865	Sterimol/B2: 2.37681	Sterimol/B3: 2.51312
Sterimol/B4: 7.78673	Sterimol/L: 15.8768

Surface and Volume Properties
Accessible surface: 490.107	Positive charged surface: 314.221	Negative charged surface: 169.799	Volume: 264.375
Hydrophobic surface: 421.726	Hydrophilic surface: 68.381

Pharmacophoric Properties
Hydrogen bond donors: 1	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.