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MMsINC code: MMs02656753

Type: Neutral
Formula: C₁₅H₁₃NO₂

SMILES:

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

InChI:

InChI=1/C15H13NO2/c16-15(18)13(11-7-3-1-4-8-11)14(17)12-9-5-2-6-10-12/h1-10,17H,(H2,16,18)/b14-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.199 kcal/mol

Physical Properties
Molecular Weight: 239.274 g/mol	logS: -3.59439	SlogP: 2.5982	Reactive groups: 1

Topological Properties
Globularity: 0.193958	Sterimol/B1: 2.54617	Sterimol/B2: 3.37909	Sterimol/B3: 3.86451
Sterimol/B4: 8.0257	Sterimol/L: 11.442

Surface and Volume Properties
Accessible surface: 439.038	Positive charged surface: 269.755	Negative charged surface: 169.283	Volume: 235.875
Hydrophobic surface: 312.119	Hydrophilic surface: 126.919

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs02656754 PUBCHEM-ZINC00331456	MMs02656755 PUBCHEM-ZINC00331456	MMs02656757 PUBCHEM-ZINC00331456
MMs02656756 PUBCHEM-ZINC00331456