MMsINC Database Search


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MMsINC code: MMs00104586

Type: Neutral
Formula: C₁₉H₂₀N₂

SMILES:

n12c(-c3n(cc(-c4ccc(cc4)C)c3C)CC1)ccc2C

InChI:

InChI=1/C19H20N2/c1-13-4-7-16(8-5-13)17-12-20-10-11-21-14(2)6-9-18(21)19(20)15(17)3/h4-9,12H,10-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.1075 kcal/mol

Physical Properties
Molecular Weight: 276.383 g/mol	logS: -3.94632	SlogP: 5.09526	Reactive groups: 0

Topological Properties
Globularity: 0.0305523	Sterimol/B1: 2.74551	Sterimol/B2: 3.34544	Sterimol/B3: 4.26546
Sterimol/B4: 4.66705	Sterimol/L: 16.9545

Surface and Volume Properties
Accessible surface: 535.772	Positive charged surface: 334.343	Negative charged surface: 201.429	Volume: 295
Hydrophobic surface: 515.027	Hydrophilic surface: 20.745

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.