MMsINC Database Search


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

MMsINC code: MMs01755265

Type: Neutral
Formula: C₁₇H₁₉NO

SMILES:

O=C(Nc1ccc(cc1C)C)c1ccc(cc1C)C

InChI:

InChI=1/C17H19NO/c1-11-5-7-15(13(3)9-11)17(19)18-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7681 kcal/mol

Physical Properties
Molecular Weight: 253.345 g/mol	logS: -4.9371	SlogP: 4.17258	Reactive groups: 0

Topological Properties
Globularity: 0.0262656	Sterimol/B1: 2.6596	Sterimol/B2: 2.95789	Sterimol/B3: 3.94334
Sterimol/B4: 5.34932	Sterimol/L: 16.1799

Surface and Volume Properties
Accessible surface: 515.641	Positive charged surface: 314.332	Negative charged surface: 201.309	Volume: 268
Hydrophobic surface: 496.406	Hydrophilic surface: 19.235

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.