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MMsINC code: MMs00482056

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1818 kcal/mol

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

Topological Properties
Globularity: 0.177461	Sterimol/B1: 3.40887	Sterimol/B2: 3.64333	Sterimol/B3: 5.71132
Sterimol/B4: 7.09711	Sterimol/L: 12.6935

Surface and Volume Properties
Accessible surface: 527.033	Positive charged surface: 289.125	Negative charged surface: 235.123	Volume: 290.875
Hydrophobic surface: 364.592	Hydrophilic surface: 162.441

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

MMs00482057
BACHEM-ZINC00092732