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MMsINC code: MMs00832107

Type: Neutral
Formula: C₁₈H₁₆N₂O₃

SMILES:

OC(=O)C(NC(=O)c1ccccc1)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C18H16N2O3/c21-17(12-6-2-1-3-7-12)20-16(18(22)23)10-13-11-19-15-9-5-4-8-14(13)15/h1-9,11,16,19H,10H2,(H,20,21)(H,22,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8061 kcal/mol

Physical Properties
Molecular Weight: 308.337 g/mol	logS: -3.64612	SlogP: 2.59357	Reactive groups: 0

Topological Properties
Globularity: 0.156498	Sterimol/B1: 3.45147	Sterimol/B2: 3.96651	Sterimol/B3: 4.09549
Sterimol/B4: 8.1045	Sterimol/L: 14.4789

Surface and Volume Properties
Accessible surface: 548.633	Positive charged surface: 296.315	Negative charged surface: 248.506	Volume: 295.125
Hydrophobic surface: 394.367	Hydrophilic surface: 154.266

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00832108
CHEMDIV-ZINC00092734