MMsINC Database Search


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MMsINC code: MMs02298192

Type: Neutral
Formula: C₂₅H₁₇NO₃

SMILES:

O=C1C(=CC(=C(NC1=O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1

InChI:

InChI=1/C25H17NO3/c27-23(19-14-8-3-9-15-19)21-16-20(17-10-4-1-5-11-17)22(26-25(29)24(21)28)18-12-6-2-7-13-18/h1-16H,(H,26,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.626 kcal/mol

Physical Properties
Molecular Weight: 379.415 g/mol	logS: -6.97472	SlogP: 4.0631	Reactive groups: 1

Topological Properties
Globularity: 0.070329	Sterimol/B1: 2.28673	Sterimol/B2: 3.37933	Sterimol/B3: 4.17797
Sterimol/B4: 7.67023	Sterimol/L: 16.4928

Surface and Volume Properties
Accessible surface: 597.139	Positive charged surface: 314.101	Negative charged surface: 283.038	Volume: 359.875
Hydrophobic surface: 481.173	Hydrophilic surface: 115.966

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.