MMsINC Database Search


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MMsINC code: MMs00660483

Type: Neutral
Formula: C₂₃H₂₆N₂O₂

SMILES:

O=C(N1CCC(CC1)C(=O)N1CCc2c(C1)cccc2)c1ccccc1C

InChI:

InChI=1/C23H26N2O2/c1-17-6-2-5-9-21(17)23(27)24-13-11-19(12-14-24)22(26)25-15-10-18-7-3-4-8-20(18)16-25/h2-9,19H,10-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0081 kcal/mol

Physical Properties
Molecular Weight: 362.473 g/mol	logS: -4.22615	SlogP: 3.69849	Reactive groups: 0

Topological Properties
Globularity: 0.0796154	Sterimol/B1: 2.9266	Sterimol/B2: 3.54553	Sterimol/B3: 5.43149
Sterimol/B4: 6.5047	Sterimol/L: 16.8516

Surface and Volume Properties
Accessible surface: 622.093	Positive charged surface: 404.47	Negative charged surface: 217.623	Volume: 363.625
Hydrophobic surface: 571.178	Hydrophilic surface: 50.915

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: no related molecules available.