MMsINC Database Search


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MMsINC code: MMs00778086

Type: Neutral
Formula: C₂₆H₂₆N₂O

SMILES:

O=C(N1CCc2c(C1)cccc2)c1ccc(cc1)CN1CCc2c(C1)cccc2

InChI:

InChI=1/C26H26N2O/c29-26(28-16-14-22-6-2-4-8-25(22)19-28)23-11-9-20(10-12-23)17-27-15-13-21-5-1-3-7-24(21)18-27/h1-12H,13-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.527 kcal/mol

Physical Properties
Molecular Weight: 382.507 g/mol	logS: -5.20001	SlogP: 5.24254	Reactive groups: 0

Topological Properties
Globularity: 0.116377	Sterimol/B1: 2.77279	Sterimol/B2: 3.32509	Sterimol/B3: 4.5577
Sterimol/B4: 8.02008	Sterimol/L: 15.4602

Surface and Volume Properties
Accessible surface: 671.51	Positive charged surface: 433.443	Negative charged surface: 238.067	Volume: 387.75
Hydrophobic surface: 630.245	Hydrophilic surface: 41.265

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules

MMs00778087
CHEMBRIDGE-ZINC04701755