MMsINC Database Search


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MMsINC code: MMs01162394

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C)c1ccc(cc1)C(=O)NCc1c2c(ccnc2)c(cc1)-c1ccccc1

InChI:

InChI=1/C24H20N2O2/c1-28-20-10-7-18(8-11-20)24(27)26-15-19-9-12-21(17-5-3-2-4-6-17)22-13-14-25-16-23(19)22/h2-14,16H,15H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.873 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.39541	SlogP: 5.1068	Reactive groups: 0

Topological Properties
Globularity: 0.0846221	Sterimol/B1: 2.07697	Sterimol/B2: 3.50857	Sterimol/B3: 5.95448
Sterimol/B4: 7.95545	Sterimol/L: 18.5544

Surface and Volume Properties
Accessible surface: 652.846	Positive charged surface: 405.791	Negative charged surface: 235.062	Volume: 366
Hydrophobic surface: 583.963	Hydrophilic surface: 68.883

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.