MMsINC Database Search


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MMsINC code: MMs02851209

Type: Neutral
Formula: C₁₅H₁₅N

SMILES:

N1CCc2c(C1)cccc2-c1ccccc1

InChI:

InChI=1/C15H15N/c1-2-5-12(6-3-1)14-8-4-7-13-11-16-10-9-15(13)14/h1-8,16H,9-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2261 kcal/mol

Physical Properties
Molecular Weight: 209.292 g/mol	logS: -3.73563	SlogP: 3.26567	Reactive groups: 0

Topological Properties
Globularity: 0.10335	Sterimol/B1: 3.15633	Sterimol/B2: 3.26475	Sterimol/B3: 4.17577
Sterimol/B4: 5.82387	Sterimol/L: 12.2996

Surface and Volume Properties
Accessible surface: 428.171	Positive charged surface: 280.459	Negative charged surface: 145.105	Volume: 222.75
Hydrophobic surface: 389.914	Hydrophilic surface: 38.257

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02851210
PUBCHEM-ZINC02014664