MMsINC Database Search


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

MMsINC code: MMs02162855

Type: Neutral
Formula: C₁₄H₂₃N₃

SMILES:

N(Cc1ccc(cc1)CN1CCN(CC1)C)C

InChI:

InChI=1/C14H23N3/c1-15-11-13-3-5-14(6-4-13)12-17-9-7-16(2)8-10-17/h3-6,15H,7-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4658 kcal/mol

Physical Properties
Molecular Weight: 233.359 g/mol	logS: -1.04356	SlogP: 1.6862	Reactive groups: 0

Topological Properties
Globularity: 0.0632718	Sterimol/B1: 3.22349	Sterimol/B2: 3.52634	Sterimol/B3: 3.81884
Sterimol/B4: 4.55958	Sterimol/L: 16.7816

Surface and Volume Properties
Accessible surface: 504.78	Positive charged surface: 437.484	Negative charged surface: 67.2955	Volume: 260.25
Hydrophobic surface: 466.097	Hydrophilic surface: 38.683

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

MMs02162857
MAYBRIDGE-ZINC04277405