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MMsINC code: MMs00420597

Type: Neutral
Formula: C₂₄H₃₀N₂O

SMILES:

O=C(N1CCCC1)c1ccc(cc1)CN1CCC(CC1)Cc1ccccc1

InChI:

InChI=1/C24H30N2O/c27-24(26-14-4-5-15-26)23-10-8-22(9-11-23)19-25-16-12-21(13-17-25)18-20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3634 kcal/mol

Physical Properties
Molecular Weight: 362.517 g/mol	logS: -4.62038	SlogP: 4.64367	Reactive groups: 0

Topological Properties
Globularity: 0.0855195	Sterimol/B1: 2.62167	Sterimol/B2: 3.7217	Sterimol/B3: 5.13078
Sterimol/B4: 8.37588	Sterimol/L: 18.6818

Surface and Volume Properties
Accessible surface: 671.467	Positive charged surface: 475.374	Negative charged surface: 196.092	Volume: 381.625
Hydrophobic surface: 627.14	Hydrophilic surface: 44.327

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

MMs00420598
ASINEX-ZINC04976984