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MMsINC code: MMs02290851

Type: Neutral
Formula: C₂₄H₂₈N₂O

SMILES:

O(C)c1cc-2c(CCc3c-2n(c2c3cccc2)CCN2CCCCC2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9403 kcal/mol

Physical Properties
Molecular Weight: 360.501 g/mol	logS: -5.19874	SlogP: 5.16774	Reactive groups: 0

Topological Properties
Globularity: 0.0636733	Sterimol/B1: 1.969	Sterimol/B2: 3.05509	Sterimol/B3: 3.66601
Sterimol/B4: 12.7128	Sterimol/L: 14.7031

Surface and Volume Properties
Accessible surface: 625.022	Positive charged surface: 464.316	Negative charged surface: 155.217	Volume: 372.75
Hydrophobic surface: 613.166	Hydrophilic surface: 11.856

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

MMs02290852
NCID-ZINC01651444