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MMsINC code: MMs03372508

Type: Neutral
Formula: C₁₄H₁₄N₂

SMILES:

n1cc(ccc1)C1NCCc2c1cccc2

InChI:

InChI=1/C14H14N2/c1-2-6-13-11(4-1)7-9-16-14(13)12-5-3-8-15-10-12/h1-6,8,10,14,16H,7,9H2/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1706 kcal/mol

Physical Properties
Molecular Weight: 210.28 g/mol	logS: -1.81901	SlogP: 2.41217	Reactive groups: 0

Topological Properties
Globularity: 0.148384	Sterimol/B1: 2.74318	Sterimol/B2: 3.23756	Sterimol/B3: 3.7969
Sterimol/B4: 7.24781	Sterimol/L: 11.8224

Surface and Volume Properties
Accessible surface: 419.535	Positive charged surface: 286.48	Negative charged surface: 133.055	Volume: 218.125
Hydrophobic surface: 385.946	Hydrophilic surface: 33.589

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03372509
PUBCHEM-ZINC05757265