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MMsINC code: MMs02918964

Type: Neutral
Formula: C₂₅H₂₂N₂O₃

SMILES:

OC(=O)c1ccc(NC(=O)c2cc3c(n(Cc4ccccc4)c(C)c3C)cc2)cc1

InChI:

InChI=1/C25H22N2O3/c1-16-17(2)27(15-18-6-4-3-5-7-18)23-13-10-20(14-22(16)23)24(28)26-21-11-8-19(9-12-21)25(29)30/h3-14H,15H2,1-2H3,(H,26,28)(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.283 kcal/mol

Physical Properties
Molecular Weight: 398.462 g/mol	logS: -5.74994	SlogP: 5.52334	Reactive groups: 0

Topological Properties
Globularity: 0.0512523	Sterimol/B1: 2.21939	Sterimol/B2: 3.43041	Sterimol/B3: 4.26876
Sterimol/B4: 9.52317	Sterimol/L: 20.3311

Surface and Volume Properties
Accessible surface: 672.201	Positive charged surface: 370.034	Negative charged surface: 296.866	Volume: 388.375
Hydrophobic surface: 526.457	Hydrophilic surface: 145.744

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02918965
PUBCHEM-ZINC02762583