MMsINC Database Search


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MMsINC code: MMs01121471

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

o1cccc1CN(Cc1ccccc1)C(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C20H20N2O2/c1-16-7-5-10-18(13-16)21-20(23)22(15-19-11-6-12-24-19)14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.263 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -5.08349	SlogP: 5.35512	Reactive groups: 0

Topological Properties
Globularity: 0.148533	Sterimol/B1: 2.24361	Sterimol/B2: 4.85793	Sterimol/B3: 6.21093
Sterimol/B4: 8.2871	Sterimol/L: 14.609

Surface and Volume Properties
Accessible surface: 591.759	Positive charged surface: 334.99	Negative charged surface: 256.77	Volume: 324.5
Hydrophobic surface: 553.278	Hydrophilic surface: 38.481

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.