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MMsINC code: MMs03099117

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

O(C(=O)c1[nH]c2c(cccc2)c1C(NC)c1ccccc1)CC

InChI:

InChI=1/C19H20N2O2/c1-3-23-19(22)18-16(14-11-7-8-12-15(14)21-18)17(20-2)13-9-5-4-6-10-13/h4-12,17,20-21H,3H2,1-2H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7876 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.04504	SlogP: 3.7489	Reactive groups: 0

Topological Properties
Globularity: 0.247155	Sterimol/B1: 4.15287	Sterimol/B2: 5.34958	Sterimol/B3: 5.51013
Sterimol/B4: 6.7188	Sterimol/L: 13.9317

Surface and Volume Properties
Accessible surface: 575.534	Positive charged surface: 379.238	Negative charged surface: 193.251	Volume: 310.25
Hydrophobic surface: 487.475	Hydrophilic surface: 88.059

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03099118
PUBCHEM-ZINC04202848