MMsINC Database Search


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MMsINC code: MMs00741567

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1ccc(cc1)CC

InChI:

InChI=1/C26H24N2O2/c1-3-18-9-13-20(14-10-18)27-26(29)23-17-25(28-24-8-6-5-7-22(23)24)19-11-15-21(16-12-19)30-4-2/h5-17H,3-4H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.537 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.70532	SlogP: 6.11517	Reactive groups: 0

Topological Properties
Globularity: 0.0152118	Sterimol/B1: 2.48156	Sterimol/B2: 3.75503	Sterimol/B3: 4.14263
Sterimol/B4: 10.5667	Sterimol/L: 20.2542

Surface and Volume Properties
Accessible surface: 725.553	Positive charged surface: 433.29	Negative charged surface: 280.618	Volume: 399
Hydrophobic surface: 622.37	Hydrophilic surface: 103.183

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.