MMsINC Database Search


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MMsINC code: MMs02351412

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O=C(Nc1c2c(cccc2)c(NC(=O)c2ccccc2)cc1)c1ccccc1

InChI:

InChI=1/C24H18N2O2/c27-23(17-9-3-1-4-10-17)25-21-15-16-22(20-14-8-7-13-19(20)21)26-24(28)18-11-5-2-6-12-18/h1-16H,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.959 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -7.20274	SlogP: 5.3444	Reactive groups: 0

Topological Properties
Globularity: 0.0160717	Sterimol/B1: 2.80255	Sterimol/B2: 2.87324	Sterimol/B3: 3.36485
Sterimol/B4: 6.91656	Sterimol/L: 20.6328

Surface and Volume Properties
Accessible surface: 637.229	Positive charged surface: 321.177	Negative charged surface: 306.871	Volume: 357.625
Hydrophobic surface: 571.01	Hydrophilic surface: 66.219

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.