MMsINC Database Search


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MMsINC code: MMs02294845

Type: Tautomer
Formula: C₁₅H₂₃N

SMILES:

N(Cc1ccccc1)(C)C1(CCCCC1)C

InChI:

InChI=1/C15H23N/c1-15(11-7-4-8-12-15)16(2)13-14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.666 kcal/mol

Physical Properties
Molecular Weight: 217.356 g/mol	logS: -3.05468	SlogP: 4.1076	Reactive groups: 0

Topological Properties
Globularity: 0.112338	Sterimol/B1: 2.32686	Sterimol/B2: 2.78816	Sterimol/B3: 4.78909
Sterimol/B4: 5.01999	Sterimol/L: 14.0509

Surface and Volume Properties
Accessible surface: 445.948	Positive charged surface: 313.997	Negative charged surface: 131.951	Volume: 246.75
Hydrophobic surface: 426.033	Hydrophilic surface: 19.915

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:

Parent related molecule:

MMs02294844
NCID-ZINC01656337