MMsINC Database Search


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MMsINC code: MMs02366739

Type: Neutral
Formula: C₁₉H₂₃N

SMILES:

N(Cc1ccccc1)(C1CCCCC1)c1ccccc1

InChI:

InChI=1/C19H23N/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-13,19H,3,8-9,14-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.055 kcal/mol

Physical Properties
Molecular Weight: 265.4 g/mol	logS: -4.55133	SlogP: 5.2923	Reactive groups: 0

Topological Properties
Globularity: 0.183883	Sterimol/B1: 2.94127	Sterimol/B2: 3.36619	Sterimol/B3: 4.73966
Sterimol/B4: 8.43437	Sterimol/L: 12.43

Surface and Volume Properties
Accessible surface: 506.055	Positive charged surface: 330.95	Negative charged surface: 175.105	Volume: 292.375
Hydrophobic surface: 497.917	Hydrophilic surface: 8.138

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.