MMsINC Database Search


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MMsINC code: MMs02808176

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(CC)c1ccccc1-c1nc2c(cccc2)c(c1)C(=O)N1CCCCC1

InChI:

InChI=1/C23H24N2O2/c1-2-27-22-13-7-5-11-18(22)21-16-19(17-10-4-6-12-20(17)24-21)23(26)25-14-8-3-9-15-25/h4-7,10-13,16H,2-3,8-9,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.07 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.54048	SlogP: 4.9266	Reactive groups: 0

Topological Properties
Globularity: 0.072065	Sterimol/B1: 3.10989	Sterimol/B2: 4.72363	Sterimol/B3: 5.40496
Sterimol/B4: 7.71843	Sterimol/L: 16.2066

Surface and Volume Properties
Accessible surface: 618.569	Positive charged surface: 404.568	Negative charged surface: 204.18	Volume: 363.5
Hydrophobic surface: 554.493	Hydrophilic surface: 64.076

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: no related molecules available.