MMsINC Database Search


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MMsINC code: MMs00887421

Type: Neutral
Formula: C₂₄H₂₃NO

SMILES:

O=C(N1CCc2c(C1)cccc2)CC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H23NO/c26-24(25-16-15-19-9-7-8-14-22(19)18-25)17-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-14,23H,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2163 kcal/mol

Physical Properties
Molecular Weight: 341.454 g/mol	logS: -4.96264	SlogP: 5.05987	Reactive groups: 0

Topological Properties
Globularity: 0.121657	Sterimol/B1: 2.36549	Sterimol/B2: 3.91972	Sterimol/B3: 4.55806
Sterimol/B4: 9.19685	Sterimol/L: 15.0048

Surface and Volume Properties
Accessible surface: 622.766	Positive charged surface: 380.441	Negative charged surface: 242.325	Volume: 356.375
Hydrophobic surface: 604.269	Hydrophilic surface: 18.497

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.