MMsINC Database Search


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MMsINC code: MMs00259854

Type: Neutral
Formula: C₂₃H₂₆N₂O₃

SMILES:

O=C1N(CCCCCC(=O)Nc2ccccc2C(C)C)C(=O)c2c1cccc2

InChI:

InChI=1/C23H26N2O3/c1-16(2)17-10-7-8-13-20(17)24-21(26)14-4-3-9-15-25-22(27)18-11-5-6-12-19(18)23(25)28/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6981 kcal/mol

Physical Properties
Molecular Weight: 378.472 g/mol	logS: -5.6093	SlogP: 4.6051	Reactive groups: 0

Topological Properties
Globularity: 0.0369429	Sterimol/B1: 2.55403	Sterimol/B2: 3.19642	Sterimol/B3: 5.09833
Sterimol/B4: 7.11941	Sterimol/L: 21.0814

Surface and Volume Properties
Accessible surface: 693.068	Positive charged surface: 438.597	Negative charged surface: 254.471	Volume: 379.5
Hydrophobic surface: 548.543	Hydrophilic surface: 144.525

Pharmacophoric Properties
Hydrogen bond donors: 1	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.