MMsINC Database Search


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MMsINC code: MMs00902518

Type: Neutral
Formula: C₂₆H₂₆N₄O

SMILES:

O(C)c1ccccc1N1CCN(CC1)c1nc(nc2c1cccc2)-c1ccc(cc1)C

InChI:

InChI=1/C26H26N4O/c1-19-11-13-20(14-12-19)25-27-22-8-4-3-7-21(22)26(28-25)30-17-15-29(16-18-30)23-9-5-6-10-24(23)31-2/h3-14H,15-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=215.751 kcal/mol

Physical Properties
Molecular Weight: 410.521 g/mol	logS: -7.45364	SlogP: 4.94042	Reactive groups: 0

Topological Properties
Globularity: 0.0313267	Sterimol/B1: 2.28318	Sterimol/B2: 3.56698	Sterimol/B3: 3.60205
Sterimol/B4: 11.9452	Sterimol/L: 18.2553

Surface and Volume Properties
Accessible surface: 715.258	Positive charged surface: 477.493	Negative charged surface: 229.429	Volume: 414.375
Hydrophobic surface: 666.862	Hydrophilic surface: 48.396

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.