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MMsINC code: MMs00644512

Type: Neutral
Formula: C₂₄H₃₀N₂O₂

SMILES:

O(C)c1cc(ccc1)C(=O)N1CCN(CC1)C1CCC(CC1)c1ccccc1

InChI:

InChI=1/C24H30N2O2/c1-28-23-9-5-8-21(18-23)24(27)26-16-14-25(15-17-26)22-12-10-20(11-13-22)19-6-3-2-4-7-19/h2-9,18,20,22H,10-17H2,1H3/t20-,22-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.847 kcal/mol

Physical Properties
Molecular Weight: 378.516 g/mol	logS: -4.49543	SlogP: 4.1794	Reactive groups: 0

Topological Properties
Globularity: 0.059948	Sterimol/B1: 2.16574	Sterimol/B2: 3.56479	Sterimol/B3: 5.14012
Sterimol/B4: 7.36711	Sterimol/L: 20.5726

Surface and Volume Properties
Accessible surface: 671.616	Positive charged surface: 480.353	Negative charged surface: 191.263	Volume: 389.25
Hydrophobic surface: 625.748	Hydrophilic surface: 45.868

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00644513
CHEMBRIDGE-ZINC00783026