MMsINC Database Search


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MMsINC code: MMs01439604

Type: Neutral
Formula: C₂₁H₂₀N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)Nc2cc(ccc2)C)cc1

InChI:

InChI=1/C21H20N2O2/c1-16-6-5-9-19(14-16)23-21(24)22-18-10-12-20(13-11-18)25-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H2,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0905 kcal/mol

Physical Properties
Molecular Weight: 332.403 g/mol	logS: -5.54425	SlogP: 5.48442	Reactive groups: 0

Topological Properties
Globularity: 0.0283997	Sterimol/B1: 2.04601	Sterimol/B2: 2.98652	Sterimol/B3: 3.80927
Sterimol/B4: 6.94165	Sterimol/L: 20.3847

Surface and Volume Properties
Accessible surface: 635.637	Positive charged surface: 377.752	Negative charged surface: 257.885	Volume: 331.875
Hydrophobic surface: 567.08	Hydrophilic surface: 68.557

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.