MMsINC Database Search


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MMsINC code: MMs00714358

Type: Neutral
Formula: C₂₆H₂₄N₂O

SMILES:

O=C(NCc1ccc(cc1)C)c1cc(nc2c1cccc2)-c1ccc(cc1C)C

InChI:

InChI=1/C26H24N2O/c1-17-8-11-20(12-9-17)16-27-26(29)23-15-25(21-13-10-18(2)14-19(21)3)28-24-7-5-4-6-22(23)24/h4-15H,16H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.192 kcal/mol

Physical Properties
Molecular Weight: 380.491 g/mol	logS: -7.70439	SlogP: 6.02346	Reactive groups: 0

Topological Properties
Globularity: 0.069284	Sterimol/B1: 3.54874	Sterimol/B2: 3.94812	Sterimol/B3: 5.58758
Sterimol/B4: 9.52783	Sterimol/L: 16.2218

Surface and Volume Properties
Accessible surface: 694.527	Positive charged surface: 406.073	Negative charged surface: 279.869	Volume: 392.125
Hydrophobic surface: 645.82	Hydrophilic surface: 48.707

Pharmacophoric Properties
Hydrogen bond donors: 1	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.