MMsINC Database Search


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

MMsINC code: MMs01471216

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

OC(C1CCN(CC1)C(=O)c1ncccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H24N2O2/c27-23(22-13-7-8-16-25-22)26-17-14-21(15-18-26)24(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-13,16,21,28H,14-15,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.931 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -4.28177	SlogP: 4.1814	Reactive groups: 0

Topological Properties
Globularity: 0.0988504	Sterimol/B1: 2.49836	Sterimol/B2: 3.39998	Sterimol/B3: 4.20671
Sterimol/B4: 8.77381	Sterimol/L: 16.4812

Surface and Volume Properties
Accessible surface: 626.306	Positive charged surface: 392.313	Negative charged surface: 233.993	Volume: 369.375
Hydrophobic surface: 564.053	Hydrophilic surface: 62.253

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.