MMsINC Database Search


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MMsINC code: MMs01583695

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O(C)c1ccc(cc1)C(=O)Cc1[nH]c2c(n1)cccc2

InChI:

InChI=1/C16H14N2O2/c1-20-12-8-6-11(7-9-12)15(19)10-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9295 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -3.82106	SlogP: 2.99687	Reactive groups: 0

Topological Properties
Globularity: 0.0239517	Sterimol/B1: 2.70214	Sterimol/B2: 2.86875	Sterimol/B3: 3.01633
Sterimol/B4: 4.61912	Sterimol/L: 18.0024

Surface and Volume Properties
Accessible surface: 511.593	Positive charged surface: 324.586	Negative charged surface: 187.007	Volume: 257.125
Hydrophobic surface: 430.555	Hydrophilic surface: 81.038

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.