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MMsINC code: MMs03477273

Type: Neutral
Formula: C₂₁H₃₂N₂O₃

SMILES:

O(C)c1ccc(cc1)C1(O)CCN(CC1)CC(=O)N1CCCCC1CC

InChI:

InChI=1/C21H32N2O3/c1-3-18-6-4-5-13-23(18)20(24)16-22-14-11-21(25,12-15-22)17-7-9-19(26-2)10-8-17/h7-10,18,25H,3-6,11-16H2,1-2H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.394 kcal/mol

Physical Properties
Molecular Weight: 360.498 g/mol	logS: -3.00626	SlogP: 3.0812	Reactive groups: 0

Topological Properties
Globularity: 0.0598011	Sterimol/B1: 2.36909	Sterimol/B2: 3.38738	Sterimol/B3: 3.99864
Sterimol/B4: 7.69146	Sterimol/L: 19.4789

Surface and Volume Properties
Accessible surface: 639.75	Positive charged surface: 501.153	Negative charged surface: 138.597	Volume: 367.75
Hydrophobic surface: 564.626	Hydrophilic surface: 75.124

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03477274
PUBCHEM-ZINC05984879