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MMsINC code: MMs02231956

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C)c1cc2NC(c3n(-c2cc1)ccc3)c1ccccc1C(O)=O

InChI:

InChI=1/C19H16N2O3/c1-24-12-8-9-16-15(11-12)20-18(17-7-4-10-21(16)17)13-5-2-3-6-14(13)19(22)23/h2-11,18,20H,1H3,(H,22,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.836 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -3.40543	SlogP: 3.7945	Reactive groups: 0

Topological Properties
Globularity: 0.219587	Sterimol/B1: 2.60931	Sterimol/B2: 4.39934	Sterimol/B3: 4.60264
Sterimol/B4: 8.5435	Sterimol/L: 13.1089

Surface and Volume Properties
Accessible surface: 536.438	Positive charged surface: 328.252	Negative charged surface: 208.186	Volume: 300.875
Hydrophobic surface: 415.517	Hydrophilic surface: 120.921

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02231957
NCID-ZINC01572096