MMsINC Database Search


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MMsINC code: MMs00907476

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(CC)c1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C26H24N2O2/c1-3-30-21-14-12-20(13-15-21)25-16-23(22-6-4-5-7-24(22)28-25)26(29)27-17-19-10-8-18(2)9-11-19/h4-16H,3,17H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.606 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.13414	SlogP: 5.80532	Reactive groups: 0

Topological Properties
Globularity: 0.0386383	Sterimol/B1: 2.46739	Sterimol/B2: 3.65729	Sterimol/B3: 3.70111
Sterimol/B4: 13.9887	Sterimol/L: 15.5914

Surface and Volume Properties
Accessible surface: 724.923	Positive charged surface: 429.116	Negative charged surface: 284.428	Volume: 400.875
Hydrophobic surface: 636.844	Hydrophilic surface: 88.079

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.