MMsINC Database Search


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MMsINC code: MMs00919308

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O=C1N(Cc2ccccc2)C(=O)N(c2c1cccc2)Cc1cc(ccc1C)C

InChI:

InChI=1/C24H22N2O2/c1-17-12-13-18(2)20(14-17)16-25-22-11-7-6-10-21(22)23(27)26(24(25)28)15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5193 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.20956	SlogP: 5.61884	Reactive groups: 0

Topological Properties
Globularity: 0.207621	Sterimol/B1: 2.17901	Sterimol/B2: 5.38375	Sterimol/B3: 6.12081
Sterimol/B4: 7.22926	Sterimol/L: 15.4984

Surface and Volume Properties
Accessible surface: 635.909	Positive charged surface: 367.37	Negative charged surface: 268.539	Volume: 368.75
Hydrophobic surface: 582.43	Hydrophilic surface: 53.479

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.