MMsINC Database Search


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MMsINC code: MMs02141755

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O(C)c1cc2CCCN(c2cc1)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C19H20N2O/c1-22-16-8-9-19-14(11-16)5-4-10-21(19)13-15-12-20-18-7-3-2-6-17(15)18/h2-3,6-9,11-12,20H,4-5,10,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.693 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -3.80611	SlogP: 4.39567	Reactive groups: 0

Topological Properties
Globularity: 0.106281	Sterimol/B1: 2.27677	Sterimol/B2: 3.93596	Sterimol/B3: 4.09054
Sterimol/B4: 7.04956	Sterimol/L: 16.2763

Surface and Volume Properties
Accessible surface: 539.144	Positive charged surface: 369.661	Negative charged surface: 166.124	Volume: 297
Hydrophobic surface: 477.889	Hydrophilic surface: 61.255

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: no related molecules available.