MMsINC Database Search


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

MMsINC code: MMs02827806

Type: Neutral
Formula: C₁₇H₁₉NO

SMILES:

O(C)c1ccccc1-c1c2c(CCN(C2)C)ccc1

InChI:

InChI=1/C17H19NO/c1-18-11-10-13-6-5-8-14(16(13)12-18)15-7-3-4-9-17(15)19-2/h3-9H,10-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.3547 kcal/mol

Physical Properties
Molecular Weight: 253.345 g/mol	logS: -3.91696	SlogP: 3.61647	Reactive groups: 0

Topological Properties
Globularity: 0.248966	Sterimol/B1: 2.0213	Sterimol/B2: 2.66794	Sterimol/B3: 5.92279
Sterimol/B4: 8.60436	Sterimol/L: 12.0652

Surface and Volume Properties
Accessible surface: 489.578	Positive charged surface: 360.463	Negative charged surface: 126.881	Volume: 266.375
Hydrophobic surface: 483.316	Hydrophilic surface: 6.262

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02827807
PUBCHEM-ZINC01854861