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MMsINC code: MMs00002995

Type: Neutral
Formula: C₁₅H₁₂O₃

SMILES:

Oc1ccccc1C(=O)\C=C(/O)\c1ccccc1

InChI:

InChI=1/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-10,16-17H/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6798 kcal/mol

Physical Properties
Molecular Weight: 240.258 g/mol	logS: -3.27564	SlogP: 3.174	Reactive groups: 1

Topological Properties
Globularity: 0.00281719	Sterimol/B1: 2.251	Sterimol/B2: 2.34615	Sterimol/B3: 3.53136
Sterimol/B4: 5.09088	Sterimol/L: 14.6973

Surface and Volume Properties
Accessible surface: 451.49	Positive charged surface: 241.902	Negative charged surface: 209.589	Volume: 230.875
Hydrophobic surface: 359.01	Hydrophilic surface: 92.48

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00002998 ACROSORGANICS-ZINC00041778	MMs00002999 ACROSORGANICS-ZINC00041778	MMs00002996 ACROSORGANICS-ZINC00041778
MMs00002997 ACROSORGANICS-ZINC00041778