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MMsINC code: MMs02097152

Type: Neutral
Formula: C₂₁H₁₆N₂O₃

SMILES:

O1c2c(cccc2)C(=O)c2cc(C(=O)NCc3ccccc3)c(nc12)C

InChI:

InChI=1/C21H16N2O3/c1-13-16(20(25)22-12-14-7-3-2-4-8-14)11-17-19(24)15-9-5-6-10-18(15)26-21(17)23-13/h2-11H,12H2,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0247 kcal/mol

Physical Properties
Molecular Weight: 344.37 g/mol	logS: -5.28718	SlogP: 3.92312	Reactive groups: 0

Topological Properties
Globularity: 0.0387228	Sterimol/B1: 2.09898	Sterimol/B2: 3.5873	Sterimol/B3: 3.69438
Sterimol/B4: 9.13241	Sterimol/L: 17.1455

Surface and Volume Properties
Accessible surface: 595.846	Positive charged surface: 341.746	Negative charged surface: 254.1	Volume: 324
Hydrophobic surface: 498.427	Hydrophilic surface: 97.419

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.