MMsINC Database Search


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MMsINC code: MMs00853204

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C1N(CCC1)c1cc(ccc1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C19H20N2O2/c1-14(15-7-3-2-4-8-15)20-19(23)16-9-5-10-17(13-16)21-12-6-11-18(21)22/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,20,23)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7396 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.95475	SlogP: 3.3999	Reactive groups: 0

Topological Properties
Globularity: 0.0407076	Sterimol/B1: 2.16843	Sterimol/B2: 2.174	Sterimol/B3: 5.18708
Sterimol/B4: 6.66192	Sterimol/L: 17.8569

Surface and Volume Properties
Accessible surface: 574.021	Positive charged surface: 344.004	Negative charged surface: 230.016	Volume: 310
Hydrophobic surface: 483.154	Hydrophilic surface: 90.867

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.