MMsINC Database Search


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

MMsINC code: MMs00681925

Type: Neutral
Formula: C₂₅H₂₁NO₂

SMILES:

O(C)c1cc2c(cc1C(=O)NC(c1ccccc1)c1ccccc1)cccc2

InChI:

InChI=1/C25H21NO2/c1-28-23-17-21-15-9-8-14-20(21)16-22(23)25(27)26-24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-17,24H,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.35 kcal/mol

Physical Properties
Molecular Weight: 367.448 g/mol	logS: -6.99507	SlogP: 5.4633	Reactive groups: 0

Topological Properties
Globularity: 0.157482	Sterimol/B1: 2.41351	Sterimol/B2: 2.58107	Sterimol/B3: 6.96603
Sterimol/B4: 8.90595	Sterimol/L: 15.4077

Surface and Volume Properties
Accessible surface: 655.028	Positive charged surface: 375.784	Negative charged surface: 268.173	Volume: 367.25
Hydrophobic surface: 628.343	Hydrophilic surface: 26.685

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.