MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01700249

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O=C(C)c1ccccc1NC(=O)CN1c2c(CC1C)cccc2

InChI:

InChI=1/C19H20N2O2/c1-13-11-15-7-3-6-10-18(15)21(13)12-19(23)20-17-9-5-4-8-16(17)14(2)22/h3-10,13H,11-12H2,1-2H3,(H,20,23)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=177.823 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.13207	SlogP: 3.27887	Reactive groups: 0

Topological Properties
Globularity: 0.178805	Sterimol/B1: 2.05477	Sterimol/B2: 4.68788	Sterimol/B3: 5.14189
Sterimol/B4: 8.33903	Sterimol/L: 14.0684

Surface and Volume Properties
Accessible surface: 561.251	Positive charged surface: 344.926	Negative charged surface: 216.324	Volume: 307.625
Hydrophobic surface: 482.526	Hydrophilic surface: 78.725

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.