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MMsINC code: MMs00485417

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O1c2c(ccc(NC(=O)C(N)Cc3ccc(O)cc3)c2)C(=CC1=O)C

InChI:

InChI=1/C19H18N2O4/c1-11-8-18(23)25-17-10-13(4-7-15(11)17)21-19(24)16(20)9-12-2-5-14(22)6-3-12/h2-8,10,16,22H,9,20H2,1H3,(H,21,24)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.53 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.46227	SlogP: 2.22297	Reactive groups: 0

Topological Properties
Globularity: 0.0221469	Sterimol/B1: 2.7529	Sterimol/B2: 2.92621	Sterimol/B3: 3.57506
Sterimol/B4: 6.3071	Sterimol/L: 19.2596

Surface and Volume Properties
Accessible surface: 583.565	Positive charged surface: 335.263	Negative charged surface: 248.302	Volume: 313.125
Hydrophobic surface: 388.625	Hydrophilic surface: 194.94

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00485418
BACHEM-ZINC04899853