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MMsINC code: MMs01820334

Type: Neutral
Formula: C₂₄H₂₈N₂O

SMILES:

O=C(CN1CCC(CC1)Cc1ccccc1)c1c2c(n(C)c1C)cccc2

InChI:

InChI=1/C24H28N2O/c1-18-24(21-10-6-7-11-22(21)25(18)2)23(27)17-26-14-12-20(13-15-26)16-19-8-4-3-5-9-19/h3-11,20H,12-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4911 kcal/mol

Physical Properties
Molecular Weight: 360.501 g/mol	logS: -4.85651	SlogP: 4.98329	Reactive groups: 0

Topological Properties
Globularity: 0.0555646	Sterimol/B1: 2.25192	Sterimol/B2: 3.19059	Sterimol/B3: 4.72545
Sterimol/B4: 8.227	Sterimol/L: 17.8321

Surface and Volume Properties
Accessible surface: 651.327	Positive charged surface: 434.898	Negative charged surface: 210.893	Volume: 379.875
Hydrophobic surface: 625.553	Hydrophilic surface: 25.774

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01820335
IBS-ZINC02271596