MMsINC Database Search


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MMsINC code: MMs02217505

Type: Neutral
Formula: C₂₄H₃₂N₂O₂

SMILES:

O(C(CN1CCN(CC1)CC(C(=O)c1ccccc1)C)c1ccccc1)CC

InChI:

InChI=1/C24H32N2O2/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22/h4-13,20,23H,3,14-19H2,1-2H3/t20-,23+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.073 kcal/mol

Physical Properties
Molecular Weight: 380.532 g/mol	logS: -3.95585	SlogP: 3.9963	Reactive groups: 0

Topological Properties
Globularity: 0.121526	Sterimol/B1: 2.54955	Sterimol/B2: 3.89197	Sterimol/B3: 5.3451
Sterimol/B4: 9.42208	Sterimol/L: 18.5839

Surface and Volume Properties
Accessible surface: 705.181	Positive charged surface: 481.136	Negative charged surface: 224.045	Volume: 403.625
Hydrophobic surface: 634.192	Hydrophilic surface: 70.989

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02217506
NCID-ZINC00607851