MMsINC Database Search


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MMsINC code: MMs02289102

Type: Neutral
Formula: C₁₁H₁₅N

SMILES:

N(=C\c1ccccc1)/CCCC

InChI:

InChI=1/C11H15N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3/b12-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.8985 kcal/mol

Physical Properties
Molecular Weight: 161.248 g/mol	logS: -2.52996	SlogP: 2.9056	Reactive groups: 0

Topological Properties
Globularity: 0.0473884	Sterimol/B1: 2.49089	Sterimol/B2: 3.56238	Sterimol/B3: 4.16546
Sterimol/B4: 4.29186	Sterimol/L: 14.5597

Surface and Volume Properties
Accessible surface: 414.734	Positive charged surface: 286.124	Negative charged surface: 128.609	Volume: 187.75
Hydrophobic surface: 372.825	Hydrophilic surface: 41.909

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

search links for this molecule:

Ions/Tautomers related molecules

MMs02289103
NCID-ZINC01649070