MMsINC Database Search


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

MMsINC code: MMs02855789

Type: Neutral
Formula: C₁₈H₂₀N₂O₃

SMILES:

Oc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)N(C)C

InChI:

InChI=1/C18H20N2O3/c1-20(2)18(23)15(12-13-8-4-3-5-9-13)19-17(22)14-10-6-7-11-16(14)21/h3-11,15,21H,12H2,1-2H3,(H,19,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.102 kcal/mol

Physical Properties
Molecular Weight: 312.369 g/mol	logS: -3.06501	SlogP: 1.82147	Reactive groups: 0

Topological Properties
Globularity: 0.145392	Sterimol/B1: 2.22557	Sterimol/B2: 3.09178	Sterimol/B3: 4.61866
Sterimol/B4: 10.4558	Sterimol/L: 14.1785

Surface and Volume Properties
Accessible surface: 561.951	Positive charged surface: 358.865	Negative charged surface: 203.086	Volume: 307
Hydrophobic surface: 472.878	Hydrophilic surface: 89.073

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.