MMsINC Database Search


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MMsINC code: MMs00165190

Type: Neutral
Formula: C₂₁H₂₀N₂O₂

SMILES:

O1CCN(CC1)c1ccccc1NC(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C21H20N2O2/c24-21(18-10-9-16-5-1-2-6-17(16)15-18)22-19-7-3-4-8-20(19)23-11-13-25-14-12-23/h1-10,15H,11-14H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.963 kcal/mol

Physical Properties
Molecular Weight: 332.403 g/mol	logS: -5.45164	SlogP: 3.9287	Reactive groups: 0

Topological Properties
Globularity: 0.0517987	Sterimol/B1: 3.39705	Sterimol/B2: 3.89739	Sterimol/B3: 4.04069
Sterimol/B4: 7.06654	Sterimol/L: 15.6576

Surface and Volume Properties
Accessible surface: 586.939	Positive charged surface: 366.463	Negative charged surface: 208.993	Volume: 326.375
Hydrophobic surface: 535.691	Hydrophilic surface: 51.248

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.