MMsINC Database Search


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MMsINC code: MMs00535888

Type: Neutral
Formula: C₂₃H₃₀N₂O₂

SMILES:

O=C(Nc1ccc(cc1)C)CCCCCCCC(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C23H30N2O2/c1-18-10-14-20(15-11-18)24-22(26)8-6-4-3-5-7-9-23(27)25-21-16-12-19(2)13-17-21/h10-17H,3-9H2,1-2H3,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0451 kcal/mol

Physical Properties
Molecular Weight: 366.505 g/mol	logS: -6.24428	SlogP: 5.61134	Reactive groups: 0

Topological Properties
Globularity: 0.0112394	Sterimol/B1: 2.52708	Sterimol/B2: 2.67618	Sterimol/B3: 3.06423
Sterimol/B4: 5.6771	Sterimol/L: 25.8512

Surface and Volume Properties
Accessible surface: 744.484	Positive charged surface: 509.862	Negative charged surface: 234.623	Volume: 387.875
Hydrophobic surface: 659.651	Hydrophilic surface: 84.833

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.