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PUBCHEM-ZINC05965045

MMsINC code: MMs03465376

Type: Neutral
Formula: C₁₁H₁₅N

SMILES:

N(Cc1ccccc1C=C)(C)C

InChI:

InChI=1/C11H15N/c1-4-10-7-5-6-8-11(10)9-12(2)3/h4-8H,1,9H2,2-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.3537 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 161.248 g/mol	logS: -2.35302	SlogP: 2.6576	Reactive groups: 0

Topological Properties
Globularity: 0.130052	Sterimol/B1: 3.0351	Sterimol/B2: 3.55714	Sterimol/B3: 4.73725
Sterimol/B4: 5.21966	Sterimol/L: 10.7136

Surface and Volume Properties
Accessible surface: 389.749	Positive charged surface: 273.183	Negative charged surface: 116.566	Volume: 187.125
Hydrophobic surface: 345.757	Hydrophilic surface: 43.992

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules

MMs03465377
PUBCHEM-ZINC05965045