MMsINC Database Search


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MMsINC code: MMs02880632

Type: Neutral
Formula: C₁₅H₁₉N

SMILES:

[nH]1c2c(cc1C1(CCCCC1)C)cccc2

InChI:

InChI=1/C15H19N/c1-15(9-5-2-6-10-15)14-11-12-7-3-4-8-13(12)16-14/h3-4,7-8,11,16H,2,5-6,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.7055 kcal/mol

Physical Properties
Molecular Weight: 213.324 g/mol	logS: -4.0371	SlogP: 4.3897	Reactive groups: 0

Topological Properties
Globularity: 0.0906345	Sterimol/B1: 2.32789	Sterimol/B2: 3.00618	Sterimol/B3: 4.89572
Sterimol/B4: 4.90565	Sterimol/L: 13.7429

Surface and Volume Properties
Accessible surface: 434.931	Positive charged surface: 287.931	Negative charged surface: 141.587	Volume: 231.625
Hydrophobic surface: 407.831	Hydrophilic surface: 27.1

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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: no related molecules available.