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MMsINC code: MMs00819113

Type: Neutral
Formula: C₂₄H₃₂N₂O₂

SMILES:

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

InChI:

InChI=1/C24H32N2O2/c1-28-17-5-14-25-24(27)23-10-8-22(9-11-23)19-26-15-12-21(13-16-26)18-20-6-3-2-4-7-20/h2-4,6-11,21H,5,12-19H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3662 kcal/mol

Physical Properties
Molecular Weight: 380.532 g/mol	logS: -4.5184	SlogP: 4.17397	Reactive groups: 0

Topological Properties
Globularity: 0.0355959	Sterimol/B1: 3.1571	Sterimol/B2: 3.8452	Sterimol/B3: 4.33129
Sterimol/B4: 8.25541	Sterimol/L: 20.5676

Surface and Volume Properties
Accessible surface: 731.621	Positive charged surface: 538.329	Negative charged surface: 193.292	Volume: 400
Hydrophobic surface: 671.221	Hydrophilic surface: 60.4

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs00819114
CHEMBRIDGE-ZINC04982883