MMsINC Database Search


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

MMsINC code: MMs02786230

Type: Neutral
Formula: C₂₄H₂₃NO₂

SMILES:

OC(Cn1c2c(cc(cc2)C)c(c1-c1ccccc1)-c1ccccc1)CO

InChI:

InChI=1/C24H23NO2/c1-17-12-13-22-21(14-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(22)15-20(27)16-26/h2-14,20,26-27H,15-16H2,1H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.235 kcal/mol

Physical Properties
Molecular Weight: 357.453 g/mol	logS: -6.45919	SlogP: 4.90332	Reactive groups: 0

Topological Properties
Globularity: 0.13644	Sterimol/B1: 2.71976	Sterimol/B2: 3.67997	Sterimol/B3: 4.06495
Sterimol/B4: 9.84206	Sterimol/L: 13.3148

Surface and Volume Properties
Accessible surface: 621.027	Positive charged surface: 385.388	Negative charged surface: 230.999	Volume: 365
Hydrophobic surface: 545.537	Hydrophilic surface: 75.49

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.