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MMsINC code: MMs03143993

Type: Neutral
Formula: C₁₉H₁₅NO₃

SMILES:

OC(=O)c1n(c2c(cccc2)c1C=O)Cc1ccc(cc1)C=C

InChI:

InChI=1/C19H15NO3/c1-2-13-7-9-14(10-8-13)11-20-17-6-4-3-5-15(17)16(12-21)18(20)19(22)23/h2-10,12H,1,11H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9313 kcal/mol

Physical Properties
Molecular Weight: 305.333 g/mol	logS: -4.56181	SlogP: 4.1097	Reactive groups: 1

Topological Properties
Globularity: 0.137508	Sterimol/B1: 2.42541	Sterimol/B2: 4.2079	Sterimol/B3: 5.20591
Sterimol/B4: 6.83034	Sterimol/L: 13.756

Surface and Volume Properties
Accessible surface: 520.913	Positive charged surface: 277.693	Negative charged surface: 237.735	Volume: 295.125
Hydrophobic surface: 350.042	Hydrophilic surface: 170.871

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs03143994
PUBCHEM-ZINC04636237