MMsINC Database Search


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MMsINC code: MMs02761184

Type: Neutral
Formula: C₂₂H₂₀N₂O₂

SMILES:

O=C(N(C)c1ccccc1)c1ccc(NC(=O)Cc2ccccc2)cc1

InChI:

InChI=1/C22H20N2O2/c1-24(20-10-6-3-7-11-20)22(26)18-12-14-19(15-13-18)23-21(25)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.851 kcal/mol

Physical Properties
Molecular Weight: 344.414 g/mol	logS: -5.28034	SlogP: 4.14437	Reactive groups: 0

Topological Properties
Globularity: 0.0276843	Sterimol/B1: 2.52507	Sterimol/B2: 3.35519	Sterimol/B3: 3.99895
Sterimol/B4: 6.45085	Sterimol/L: 20.0998

Surface and Volume Properties
Accessible surface: 619.67	Positive charged surface: 373.548	Negative charged surface: 246.122	Volume: 339.875
Hydrophobic surface: 558.229	Hydrophilic surface: 61.441

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.