MMsINC Database Search


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

MMsINC code: MMs02261629

Type: Neutral
Formula: C₁₄H₁₄N₂

SMILES:

[nH]1c2c(cc(N(C)C)cc2)c2c1cccc2

InChI:

InChI=1/C14H14N2/c1-16(2)10-7-8-14-12(9-10)11-5-3-4-6-13(11)15-14/h3-9,15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.9933 kcal/mol

Physical Properties
Molecular Weight: 210.28 g/mol	logS: -3.44887	SlogP: 3.3871	Reactive groups: 0

Topological Properties
Globularity: 0.0101985	Sterimol/B1: 2.37513	Sterimol/B2: 2.51419	Sterimol/B3: 4.46417
Sterimol/B4: 4.51016	Sterimol/L: 13.935

Surface and Volume Properties
Accessible surface: 432.711	Positive charged surface: 284.62	Negative charged surface: 136.168	Volume: 221.75
Hydrophobic surface: 410.571	Hydrophilic surface: 22.14

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.