MMsINC Database Search


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MMsINC code: MMs00631232

Type: Neutral
Formula: C₂₂H₂₀N₂O₂

SMILES:

O=C(N(C(=O)c1ccc(cc1)C)c1ncccc1C)c1ccc(cc1)C

InChI:

InChI=1/C22H20N2O2/c1-15-6-10-18(11-7-15)21(25)24(20-17(3)5-4-14-23-20)22(26)19-12-8-16(2)9-13-19/h4-14H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=188.092 kcal/mol

Physical Properties
Molecular Weight: 344.414 g/mol	logS: -5.56552	SlogP: 4.49406	Reactive groups: 0

Topological Properties
Globularity: 0.0830552	Sterimol/B1: 3.89511	Sterimol/B2: 4.05073	Sterimol/B3: 4.61805
Sterimol/B4: 5.56601	Sterimol/L: 16.6424

Surface and Volume Properties
Accessible surface: 564.7	Positive charged surface: 335.975	Negative charged surface: 228.726	Volume: 336.875
Hydrophobic surface: 499.489	Hydrophilic surface: 65.211

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.