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MMsINC code: MMs01179974

Type: Neutral
Formula: C₂₁H₂₀N₂O₃

SMILES:

O1CCCOc2c1cc(cc2)C(=O)N(Cc1cc2c(nc1)cccc2)C

InChI:

InChI=1/C21H20N2O3/c1-23(14-15-11-16-5-2-3-6-18(16)22-13-15)21(24)17-7-8-19-20(12-17)26-10-4-9-25-19/h2-3,5-8,11-13H,4,9-10,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.148 kcal/mol

Physical Properties
Molecular Weight: 348.402 g/mol	logS: -4.23283	SlogP: 3.9347	Reactive groups: 0

Topological Properties
Globularity: 0.0529386	Sterimol/B1: 2.37732	Sterimol/B2: 3.19173	Sterimol/B3: 4.30907
Sterimol/B4: 7.92776	Sterimol/L: 17.2868

Surface and Volume Properties
Accessible surface: 590.736	Positive charged surface: 409.121	Negative charged surface: 176.507	Volume: 335.25
Hydrophobic surface: 516.673	Hydrophilic surface: 74.063

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.