MMsINC Database Search


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MMsINC code: MMs00690668

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

O(Cc1ccccc1)c1cc(ccc1)CN1CCN(CC1)c1ccccc1

InChI:

InChI=1/C24H26N2O/c1-3-8-21(9-4-1)20-27-24-13-7-10-22(18-24)19-25-14-16-26(17-15-25)23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.184 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -4.9452	SlogP: 5.1206	Reactive groups: 0

Topological Properties
Globularity: 0.0526484	Sterimol/B1: 3.05449	Sterimol/B2: 3.13669	Sterimol/B3: 4.69944
Sterimol/B4: 8.2199	Sterimol/L: 19.0122

Surface and Volume Properties
Accessible surface: 677.725	Positive charged surface: 432.11	Negative charged surface: 245.615	Volume: 371.625
Hydrophobic surface: 648.495	Hydrophilic surface: 29.23

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: 1

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Ions/Tautomers related molecules

MMs00690669
CHEMBRIDGE-ZINC01226125