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MMsINC code: MMs03863657

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

O1c2c(ccc(NC(=O)C(N)Cc3ccccc3)c2)C(=CC1=O)C

InChI:

InChI=1/C19H18N2O3/c1-12-9-18(22)24-17-11-14(7-8-15(12)17)21-19(23)16(20)10-13-5-3-2-4-6-13/h2-9,11,16H,10,20H2,1H3,(H,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.441 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -4.82422	SlogP: 2.51737	Reactive groups: 0

Topological Properties
Globularity: 0.0226292	Sterimol/B1: 2.37423	Sterimol/B2: 2.50711	Sterimol/B3: 3.50168
Sterimol/B4: 6.41981	Sterimol/L: 18.4447

Surface and Volume Properties
Accessible surface: 570.581	Positive charged surface: 323.296	Negative charged surface: 247.285	Volume: 309.625
Hydrophobic surface: 424.908	Hydrophilic surface: 145.673

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03863658
PUBCHEM-ZINC06796458