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MMsINC code: MMs03018843

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O=C(C(CN(C)C)c1ccccc1)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C19H20N2O/c1-21(2)13-17(14-8-4-3-5-9-14)19(22)16-12-20-18-11-7-6-10-15(16)18/h3-12,17,20H,13H2,1-2H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9534 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -3.58151	SlogP: 3.696	Reactive groups: 0

Topological Properties
Globularity: 0.136694	Sterimol/B1: 2.28728	Sterimol/B2: 3.45634	Sterimol/B3: 4.57445
Sterimol/B4: 7.90815	Sterimol/L: 14.3092

Surface and Volume Properties
Accessible surface: 542.48	Positive charged surface: 351.129	Negative charged surface: 186.5	Volume: 301.625
Hydrophobic surface: 480.56	Hydrophilic surface: 61.92

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03018844
PUBCHEM-ZINC03600863