MMsINC Database Search


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MMsINC code: MMs01208346

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

o1c2c(nc1-c1cccc(NC(=O)C)c1C)cccc2

InChI:

InChI=1/C16H14N2O2/c1-10-12(6-5-8-13(10)17-11(2)19)16-18-14-7-3-4-9-15(14)20-16/h3-9H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6794 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -5.07047	SlogP: 3.76162	Reactive groups: 0

Topological Properties
Globularity: 0.0330659	Sterimol/B1: 2.32232	Sterimol/B2: 3.02468	Sterimol/B3: 3.15398
Sterimol/B4: 6.64588	Sterimol/L: 16.2465

Surface and Volume Properties
Accessible surface: 496.196	Positive charged surface: 290.107	Negative charged surface: 206.089	Volume: 257.25
Hydrophobic surface: 422.393	Hydrophilic surface: 73.803

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.