MMsINC Database Search


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MMsINC code: MMs00780755

Type: Neutral
Formula: C₂₄H₃₂N₂O₃

SMILES:

O(CC)c1ccc(cc1)CN1CCC(CC1)C(=O)N(Cc1ccccc1)CCO

InChI:

InChI=1/C24H32N2O3/c1-2-29-23-10-8-21(9-11-23)18-25-14-12-22(13-15-25)24(28)26(16-17-27)19-20-6-4-3-5-7-20/h3-11,22,27H,2,12-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9082 kcal/mol

Physical Properties
Molecular Weight: 396.531 g/mol	logS: -3.57472	SlogP: 3.8512	Reactive groups: 0

Topological Properties
Globularity: 0.0638734	Sterimol/B1: 2.33407	Sterimol/B2: 4.74523	Sterimol/B3: 5.58268
Sterimol/B4: 6.03278	Sterimol/L: 21.1872

Surface and Volume Properties
Accessible surface: 715.652	Positive charged surface: 514.274	Negative charged surface: 201.378	Volume: 407.75
Hydrophobic surface: 611.604	Hydrophilic surface: 104.048

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs00780756
CHEMBRIDGE-ZINC04725533