MMsINC Database Search


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

MMsINC code: MMs02842132

Type: Neutral
Formula: C₁₉H₂₅NO

SMILES:

O(C(c1ccccc1C)c1cc(ccc1)C)CCN(C)C

InChI:

InChI=1/C19H25NO/c1-15-8-7-10-17(14-15)19(21-13-12-20(3)4)18-11-6-5-9-16(18)2/h5-11,14,19H,12-13H2,1-4H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6642 kcal/mol

Physical Properties
Molecular Weight: 283.415 g/mol	logS: -4.11471	SlogP: 4.06654	Reactive groups: 0

Topological Properties
Globularity: 0.207206	Sterimol/B1: 2.46947	Sterimol/B2: 3.61756	Sterimol/B3: 4.82408
Sterimol/B4: 9.82956	Sterimol/L: 13.1417

Surface and Volume Properties
Accessible surface: 561.805	Positive charged surface: 405.825	Negative charged surface: 155.98	Volume: 313.625
Hydrophobic surface: 561.003	Hydrophilic surface: 0.80199999999991

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02842133
PUBCHEM-ZINC01999767