MMsINC Database Search


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MMsINC code: MMs02684730

Type: Neutral
Formula: C₂₂H₁₈N₂O₂

SMILES:

o1c2cc(ccc2nc1-c1cc(NC(=O)Cc2ccccc2)ccc1)C

InChI:

InChI=1/C22H18N2O2/c1-15-10-11-19-20(12-15)26-22(24-19)17-8-5-9-18(14-17)23-21(25)13-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.9224 kcal/mol

Physical Properties
Molecular Weight: 342.398 g/mol	logS: -7.20593	SlogP: 4.98439	Reactive groups: 0

Topological Properties
Globularity: 0.0364764	Sterimol/B1: 3.6882	Sterimol/B2: 3.69818	Sterimol/B3: 4.23236
Sterimol/B4: 8.5778	Sterimol/L: 16.8628

Surface and Volume Properties
Accessible surface: 637.363	Positive charged surface: 380.929	Negative charged surface: 256.434	Volume: 336.125
Hydrophobic surface: 562.934	Hydrophilic surface: 74.429

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.