MMsINC Database Search


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

MMsINC code: MMs02735097

Type: Neutral
Formula: C₂₅H₂₇NO₂

SMILES:

O(Cc1ccccc1)c1cc(ccc1)CN(C(=O)c1ccccc1C)C(C)C

InChI:

InChI=1/C25H27NO2/c1-19(2)26(25(27)24-15-8-7-10-20(24)3)17-22-13-9-14-23(16-22)28-18-21-11-5-4-6-12-21/h4-16,19H,17-18H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.763 kcal/mol

Physical Properties
Molecular Weight: 373.496 g/mol	logS: -6.13954	SlogP: 6.15762	Reactive groups: 0

Topological Properties
Globularity: 0.116358	Sterimol/B1: 1.99759	Sterimol/B2: 2.96815	Sterimol/B3: 6.77905
Sterimol/B4: 8.58306	Sterimol/L: 16.0517

Surface and Volume Properties
Accessible surface: 671.487	Positive charged surface: 398.315	Negative charged surface: 273.172	Volume: 391.625
Hydrophobic surface: 611.243	Hydrophilic surface: 60.244

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.