MMsINC Database Search


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

MMsINC code: MMs02441437

Type: Neutral
Formula: C₂₄H₂₅NO

SMILES:

OC(C1N(C)C1c1ccccc1)(c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C24H25NO/c1-17-9-13-20(14-10-17)24(26,21-15-11-18(2)12-16-21)23-22(25(23)3)19-7-5-4-6-8-19/h4-16,22-23,26H,1-3H3/t22-,23-,25+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.189 kcal/mol

Physical Properties
Molecular Weight: 343.47 g/mol	logS: -5.68627	SlogP: 5.00164	Reactive groups: 1

Topological Properties
Globularity: 0.238223	Sterimol/B1: 2.23052	Sterimol/B2: 3.24456	Sterimol/B3: 5.49417
Sterimol/B4: 10.3941	Sterimol/L: 14.4485

Surface and Volume Properties
Accessible surface: 600.054	Positive charged surface: 401.692	Negative charged surface: 198.362	Volume: 363
Hydrophobic surface: 584.23	Hydrophilic surface: 15.824

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.