MMsINC Database Search


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MMsINC code: MMs00963000

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O=C1N(c2ccc(cc2)CC)C(=O)N(c2c1cccc2)Cc1ccc(cc1)C

InChI:

InChI=1/C24H22N2O2/c1-3-18-12-14-20(15-13-18)26-23(27)21-6-4-5-7-22(21)25(24(26)28)16-19-10-8-17(2)9-11-19/h4-15H,3,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.273 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.78074	SlogP: 5.61079	Reactive groups: 0

Topological Properties
Globularity: 0.0858306	Sterimol/B1: 3.82467	Sterimol/B2: 3.83668	Sterimol/B3: 4.15285
Sterimol/B4: 8.6225	Sterimol/L: 16.0179

Surface and Volume Properties
Accessible surface: 646.769	Positive charged surface: 383.481	Negative charged surface: 263.288	Volume: 371.5
Hydrophobic surface: 563.996	Hydrophilic surface: 82.773

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.