MMsINC Database Search


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MMsINC code: MMs01017403

Type: Neutral
Formula: C₁₅H₂₂N₂

SMILES:

n1c2cc(C)c(cc2n(CCCCC)c1C)C

InChI:

InChI=1/C15H22N2/c1-5-6-7-8-17-13(4)16-14-9-11(2)12(3)10-15(14)17/h9-10H,5-8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.5108 kcal/mol

Physical Properties
Molecular Weight: 230.355 g/mol	logS: -4.19814	SlogP: 4.41816	Reactive groups: 0

Topological Properties
Globularity: 0.053847	Sterimol/B1: 2.75927	Sterimol/B2: 2.90108	Sterimol/B3: 3.46655
Sterimol/B4: 7.46842	Sterimol/L: 14.9373

Surface and Volume Properties
Accessible surface: 503.499	Positive charged surface: 347.074	Negative charged surface: 156.425	Volume: 261.125
Hydrophobic surface: 455.574	Hydrophilic surface: 47.925

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: no related molecules available.