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MMsINC code: MMs01527591

Type: Neutral
Formula: C₂₃H₃₀N₂O₂

SMILES:

O=C(N(Cc1ccccc1)C(C)C)CC(=O)N(Cc1ccccc1)C(C)C

InChI:

InChI=1/C23H30N2O2/c1-18(2)24(16-20-11-7-5-8-12-20)22(26)15-23(27)25(19(3)4)17-21-13-9-6-10-14-21/h5-14,18-19H,15-17H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.9606 kcal/mol

Physical Properties
Molecular Weight: 366.505 g/mol	logS: -4.45026	SlogP: 4.7837	Reactive groups: 0

Topological Properties
Globularity: 0.137199	Sterimol/B1: 2.75797	Sterimol/B2: 4.3831	Sterimol/B3: 4.46806
Sterimol/B4: 7.20522	Sterimol/L: 17.0244

Surface and Volume Properties
Accessible surface: 650.977	Positive charged surface: 410.508	Negative charged surface: 240.469	Volume: 388.875
Hydrophobic surface: 540.296	Hydrophilic surface: 110.681

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01527592
ENAMINE-ZINC03885945