MMsINC Database Search


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

MMsINC code: MMs02630929

Type: Neutral
Formula: C₁₅H₂₄N₂O

SMILES:

O=C(NC(C)(C)C)c1ccc(N(CC)CC)cc1

InChI:

InChI=1/C15H24N2O/c1-6-17(7-2)13-10-8-12(9-11-13)14(18)16-15(3,4)5/h8-11H,6-7H2,1-5H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4527 kcal/mol

Physical Properties
Molecular Weight: 248.37 g/mol	logS: -3.09447	SlogP: 3.0611	Reactive groups: 0

Topological Properties
Globularity: 0.0570776	Sterimol/B1: 2.43638	Sterimol/B2: 2.78125	Sterimol/B3: 4.21085
Sterimol/B4: 6.45696	Sterimol/L: 14.5172

Surface and Volume Properties
Accessible surface: 510.993	Positive charged surface: 350.15	Negative charged surface: 160.843	Volume: 274
Hydrophobic surface: 377.816	Hydrophilic surface: 133.177

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.