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MMsINC code: MMs02765566

Type: Neutral
Formula: C₂₃H₁₇NO₄

SMILES:

OC(=O)c1ccc(cc1)C(=O)c1ccc(NC(=O)\C=C\c2ccccc2)cc1

InChI:

InChI=1/C23H17NO4/c25-21(15-6-16-4-2-1-3-5-16)24-20-13-11-18(12-14-20)22(26)17-7-9-19(10-8-17)23(27)28/h1-15H,(H,24,25)(H,27,28)/b15-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.736 kcal/mol

Physical Properties
Molecular Weight: 371.392 g/mol	logS: -5.9029	SlogP: 4.2677	Reactive groups: 0

Topological Properties
Globularity: 0.0231962	Sterimol/B1: 2.88796	Sterimol/B2: 3.4429	Sterimol/B3: 4.53498
Sterimol/B4: 6.57919	Sterimol/L: 21.2194

Surface and Volume Properties
Accessible surface: 653.641	Positive charged surface: 336.888	Negative charged surface: 316.753	Volume: 351.375
Hydrophobic surface: 476.431	Hydrophilic surface: 177.21

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs02765567
PUBCHEM-ZINC01078798