MMsINC Database Search


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

MMsINC code: MMs03190010

Type: Neutral
Formula: C₂₀H₁₉NO

SMILES:

OC(C(N)c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H19NO/c21-19(16-10-4-1-5-11-16)20(22,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19,22H,21H2/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.751 kcal/mol

Physical Properties
Molecular Weight: 289.378 g/mol	logS: -4.38306	SlogP: 4.0295	Reactive groups: 0

Topological Properties
Globularity: 0.233436	Sterimol/B1: 3.30442	Sterimol/B2: 3.63712	Sterimol/B3: 4.07383
Sterimol/B4: 7.49101	Sterimol/L: 14.209

Surface and Volume Properties
Accessible surface: 514.478	Positive charged surface: 287.478	Negative charged surface: 227	Volume: 297.625
Hydrophobic surface: 460.749	Hydrophilic surface: 53.729

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.