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MMsINC code: MMs02851991

Type: Neutral
Formula: C₁₁H₁₄N₂

SMILES:

[nH]1c2cc(ccc2cc1)CC(N)C

InChI:

InChI=1/C11H14N2/c1-8(12)6-9-2-3-10-4-5-13-11(10)7-9/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.4641 kcal/mol

Physical Properties
Molecular Weight: 174.247 g/mol	logS: -1.72838	SlogP: 2.05757	Reactive groups: 0

Topological Properties
Globularity: 0.0744297	Sterimol/B1: 3.03036	Sterimol/B2: 3.15769	Sterimol/B3: 3.18279
Sterimol/B4: 4.79658	Sterimol/L: 12.6075

Surface and Volume Properties
Accessible surface: 394.347	Positive charged surface: 249.846	Negative charged surface: 138.774	Volume: 189
Hydrophobic surface: 272.51	Hydrophilic surface: 121.837

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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

MMs02851992
PUBCHEM-ZINC02015705