MMsINC Database Search


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MMsINC code: MMs00830732

Type: Neutral
Formula: C₂₂H₁₈N₂O₂

SMILES:

O=C1N(N(Cc2ccccc2)C(=O)c2c1cccc2)Cc1ccccc1

InChI:

InChI=1/C22H18N2O2/c25-21-19-13-7-8-14-20(19)22(26)24(16-18-11-5-2-6-12-18)23(21)15-17-9-3-1-4-10-17/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.223 kcal/mol

Physical Properties
Molecular Weight: 342.398 g/mol	logS: -5.26172	SlogP: 4.4328	Reactive groups: 0

Topological Properties
Globularity: 0.184235	Sterimol/B1: 2.63686	Sterimol/B2: 2.81916	Sterimol/B3: 4.60158
Sterimol/B4: 9.60906	Sterimol/L: 14.1056

Surface and Volume Properties
Accessible surface: 574.993	Positive charged surface: 309.964	Negative charged surface: 265.029	Volume: 334.875
Hydrophobic surface: 521.381	Hydrophilic surface: 53.612

Pharmacophoric Properties
Hydrogen bond donors: 0	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.