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MMsINC code: MMs01732721

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(CC)c1cc(ccc1O)C1NCCc2c1[nH]c1c2cccc1

InChI:

InChI=1/C19H20N2O2/c1-2-23-17-11-12(7-8-16(17)22)18-19-14(9-10-20-18)13-5-3-4-6-15(13)21-19/h3-8,11,18,20-22H,2,9-10H2,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8794 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -3.53561	SlogP: 3.60277	Reactive groups: 0

Topological Properties
Globularity: 0.148726	Sterimol/B1: 2.68992	Sterimol/B2: 3.76398	Sterimol/B3: 6.02229
Sterimol/B4: 7.09445	Sterimol/L: 15.4527

Surface and Volume Properties
Accessible surface: 560.616	Positive charged surface: 378.139	Negative charged surface: 177.321	Volume: 304.375
Hydrophobic surface: 453.117	Hydrophilic surface: 107.499

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs01732722
IBS-ZINC00211975