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MMsINC code: MMs00711406

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C(N\C(=C\c1ccccc1)\C(=O)NC(C)c1ccccc1)C

InChI:

InChI=1/C19H20N2O2/c1-14(17-11-7-4-8-12-17)20-19(23)18(21-15(2)22)13-16-9-5-3-6-10-16/h3-14H,1-2H3,(H,20,23)(H,21,22)/b18-13-/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7751 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.37742	SlogP: 3.1365	Reactive groups: 0

Topological Properties
Globularity: 0.0676929	Sterimol/B1: 1.97279	Sterimol/B2: 2.87132	Sterimol/B3: 5.35752
Sterimol/B4: 6.39863	Sterimol/L: 16.5639

Surface and Volume Properties
Accessible surface: 561.299	Positive charged surface: 309.398	Negative charged surface: 251.901	Volume: 313.375
Hydrophobic surface: 479.176	Hydrophilic surface: 82.123

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00711407
CHEMBRIDGE-ZINC02495456