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MMsINC code: MMs02095772

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O=C1N(Cc2c1cccc2)C(Cc1c2c([nH]c1)cccc2)C(O)=O

InChI:

InChI=1/C19H16N2O3/c22-18-15-7-2-1-5-12(15)11-21(18)17(19(23)24)9-13-10-20-16-8-4-3-6-14(13)16/h1-8,10,17,20H,9,11H2,(H,23,24)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5836 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -3.66253	SlogP: 3.08597	Reactive groups: 0

Topological Properties
Globularity: 0.131907	Sterimol/B1: 2.98138	Sterimol/B2: 3.00663	Sterimol/B3: 4.48826
Sterimol/B4: 8.44369	Sterimol/L: 14.6107

Surface and Volume Properties
Accessible surface: 538.427	Positive charged surface: 309.714	Negative charged surface: 226.688	Volume: 302.375
Hydrophobic surface: 389.816	Hydrophilic surface: 148.611

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

MMs02095773
KEYORGANICS-ZINC01385162