MMsINC Database Search


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

MMsINC code: MMs02470132

Type: Neutral
Formula: C₂₅H₂₆N₂O

SMILES:

O(N=C1CC(N(C)C(C1)c1ccccc1)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C25H26N2O/c1-27-24(21-13-7-3-8-14-21)17-23(18-25(27)22-15-9-4-10-16-22)26-28-19-20-11-5-2-6-12-20/h2-16,24-25H,17-19H2,1H3/t24-,25-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.853 kcal/mol

Physical Properties
Molecular Weight: 370.496 g/mol	logS: -5.26371	SlogP: 6.2248	Reactive groups: 0

Topological Properties
Globularity: 0.101294	Sterimol/B1: 2.48051	Sterimol/B2: 5.27316	Sterimol/B3: 5.32367
Sterimol/B4: 5.99292	Sterimol/L: 18.4387

Surface and Volume Properties
Accessible surface: 647.672	Positive charged surface: 402.378	Negative charged surface: 245.294	Volume: 384.125
Hydrophobic surface: 624.834	Hydrophilic surface: 22.838

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02470133
NCID-ZINC05519506