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MMsINC code: MMs01738612

Type: Neutral
Formula: C₂₀H₁₆N₂O₃

SMILES:

OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1nc(ccc1)C

InChI:

InChI=1/C20H16N2O3/c1-13-7-6-12-18(21-13)22-19(23)16-10-4-2-8-14(16)15-9-3-5-11-17(15)20(24)25/h2-12H,1H3,(H,24,25)(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.385 kcal/mol

Physical Properties
Molecular Weight: 332.359 g/mol	logS: -5.11716	SlogP: 4.00752	Reactive groups: 0

Topological Properties
Globularity: 0.142023	Sterimol/B1: 3.51061	Sterimol/B2: 4.23935	Sterimol/B3: 5.44354
Sterimol/B4: 7.79788	Sterimol/L: 13.8565

Surface and Volume Properties
Accessible surface: 558.501	Positive charged surface: 334.612	Negative charged surface: 222.538	Volume: 314.625
Hydrophobic surface: 464.246	Hydrophilic surface: 94.255

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01738613
IBS-ZINC00492437