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MMsINC code: MMs03144001

Type: Neutral
Formula: C₁₉H₁₇NO₃

SMILES:

OC(=O)c1n(c2c(cccc2)c1C=O)Cc1cc(ccc1C)C

InChI:

InChI=1/C19H17NO3/c1-12-7-8-13(2)14(9-12)10-20-17-6-4-3-5-15(17)16(11-21)18(20)19(22)23/h3-9,11H,10H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.175 kcal/mol

Physical Properties
Molecular Weight: 307.349 g/mol	logS: -4.41296	SlogP: 4.08354	Reactive groups: 1

Topological Properties
Globularity: 0.186619	Sterimol/B1: 2.4688	Sterimol/B2: 4.44025	Sterimol/B3: 5.16095
Sterimol/B4: 6.62363	Sterimol/L: 12.7024

Surface and Volume Properties
Accessible surface: 515.694	Positive charged surface: 291.805	Negative charged surface: 217.623	Volume: 296.25
Hydrophobic surface: 383.757	Hydrophilic surface: 131.937

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

MMs03144002
PUBCHEM-ZINC04636243