MMsINC Database Search


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MMsINC code: MMs01179075

Type: Neutral
Formula: C₂₂H₂₀N₂O₃

SMILES:

O1CCOc2c1cc(cc2)C(=O)N(Cc1ccccc1)Cc1cccnc1

InChI:

InChI=1/C22H20N2O3/c25-22(19-8-9-20-21(13-19)27-12-11-26-20)24(15-17-5-2-1-3-6-17)16-18-7-4-10-23-14-18/h1-10,13-14H,11-12,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.358 kcal/mol

Physical Properties
Molecular Weight: 360.413 g/mol	logS: -3.95228	SlogP: 4.2282	Reactive groups: 0

Topological Properties
Globularity: 0.0803335	Sterimol/B1: 2.54208	Sterimol/B2: 2.96198	Sterimol/B3: 4.64633
Sterimol/B4: 10.479	Sterimol/L: 14.7865

Surface and Volume Properties
Accessible surface: 605.588	Positive charged surface: 395.362	Negative charged surface: 210.225	Volume: 345.625
Hydrophobic surface: 531.323	Hydrophilic surface: 74.265

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.