MMsINC Database Search


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MMsINC code: MMs03806072

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

Oc1ccc(NC(=O)\C=C(/O)\c2ccccc2)cc1

InChI:

InChI=1/C15H13NO3/c17-13-8-6-12(7-9-13)16-15(19)10-14(18)11-4-2-1-3-5-11/h1-10,17-18H,(H,16,19)/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9923 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -3.17282	SlogP: 2.9298	Reactive groups: 0

Topological Properties
Globularity: 0.00951944	Sterimol/B1: 2.21133	Sterimol/B2: 2.74812	Sterimol/B3: 3.48033
Sterimol/B4: 4.17114	Sterimol/L: 16.9714

Surface and Volume Properties
Accessible surface: 493.183	Positive charged surface: 275.199	Negative charged surface: 217.983	Volume: 241.875
Hydrophobic surface: 372.74	Hydrophilic surface: 120.443

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

search links for this molecule:

Ions/Tautomers related molecules

MMs03806073 PUBCHEM-ZINC06578513	MMs03806074 PUBCHEM-ZINC06578513	MMs03806075 PUBCHEM-ZINC06578513
MMs03806076 PUBCHEM-ZINC06578513