MMsINC Database Search


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

MMsINC code: MMs01942678

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(C)c1cc2[nH]c(cc2cc1)C(=O)N(Cc1ccccc1)CC

InChI:

InChI=1/C19H20N2O2/c1-3-21(13-14-7-5-4-6-8-14)19(22)18-11-15-9-10-16(23-2)12-17(15)20-18/h4-12,20H,3,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2165 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.01333	SlogP: 4.1052	Reactive groups: 0

Topological Properties
Globularity: 0.0714365	Sterimol/B1: 2.26957	Sterimol/B2: 2.88594	Sterimol/B3: 4.83478
Sterimol/B4: 7.25519	Sterimol/L: 17.1939

Surface and Volume Properties
Accessible surface: 563.902	Positive charged surface: 352.791	Negative charged surface: 205.441	Volume: 310.125
Hydrophobic surface: 495.921	Hydrophilic surface: 67.981

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.