MMsINC Database Search


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

MMsINC code: MMs00837205

Type: Neutral
Formula: C₁₇H₂₁NO

SMILES:

OC(CCN(C)C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C17H21NO/c1-18(2)14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19H,13-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9656 kcal/mol

Physical Properties
Molecular Weight: 255.361 g/mol	logS: -3.02346	SlogP: 3.1857	Reactive groups: 0

Topological Properties
Globularity: 0.232027	Sterimol/B1: 2.9739	Sterimol/B2: 3.26466	Sterimol/B3: 5.14635
Sterimol/B4: 6.97849	Sterimol/L: 13.2617

Surface and Volume Properties
Accessible surface: 498.237	Positive charged surface: 337.226	Negative charged surface: 161.011	Volume: 275
Hydrophobic surface: 472.45	Hydrophilic surface: 25.787

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

MMs00837206
CHEMDIV-ZINC00189717