MMsINC Database Search


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MMsINC code: MMs02216920

Type: Neutral
Formula: C₁₆H₂₀N₂

SMILES:

N(C)(C)c1ccc(cc1)CNc1ccc(cc1)C

InChI:

InChI=1/C16H20N2/c1-13-4-8-15(9-5-13)17-12-14-6-10-16(11-7-14)18(2)3/h4-11,17H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8944 kcal/mol

Physical Properties
Molecular Weight: 240.35 g/mol	logS: -3.35057	SlogP: 3.93952	Reactive groups: 0

Topological Properties
Globularity: 0.0520262	Sterimol/B1: 3.57924	Sterimol/B2: 3.62119	Sterimol/B3: 3.62541
Sterimol/B4: 3.71611	Sterimol/L: 17.1889

Surface and Volume Properties
Accessible surface: 519.102	Positive charged surface: 365.129	Negative charged surface: 153.973	Volume: 267
Hydrophobic surface: 500.054	Hydrophilic surface: 19.048

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.