MMsINC Database Search


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MMsINC code: MMs03944622

Type: Neutral
Formula: C₁₉H₂₀N₂

SMILES:

Nc1cc2c(cccc2)c(-c2ccccc2)c1CN(C)C

InChI:

InChI=1/C19H20N2/c1-21(2)13-17-18(20)12-15-10-6-7-11-16(15)19(17)14-8-4-3-5-9-14/h3-12H,13,20H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.07 kcal/mol

Physical Properties
Molecular Weight: 276.383 g/mol	logS: -5.28147	SlogP: 4.417	Reactive groups: 0

Topological Properties
Globularity: 0.147412	Sterimol/B1: 3.16288	Sterimol/B2: 4.27271	Sterimol/B3: 4.87275
Sterimol/B4: 7.08021	Sterimol/L: 12.9932

Surface and Volume Properties
Accessible surface: 508.805	Positive charged surface: 351.154	Negative charged surface: 146.742	Volume: 293.625
Hydrophobic surface: 464.816	Hydrophilic surface: 43.989

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

MMs03944623
TIMTEC-ZINC00033940