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MMsINC code: MMs01332786

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

OCCCNC(=O)C(=O)c1n2c(cc1-c1ccccc1)C=CC=C2

InChI:

InChI=1/C19H18N2O3/c22-12-6-10-20-19(24)18(23)17-16(14-7-2-1-3-8-14)13-15-9-4-5-11-21(15)17/h1-5,7-9,11,13,22H,6,10,12H2,(H,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.366 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -3.83183	SlogP: 2.3339	Reactive groups: 0

Topological Properties
Globularity: 0.0834454	Sterimol/B1: 2.51724	Sterimol/B2: 3.55826	Sterimol/B3: 3.77063
Sterimol/B4: 11.1045	Sterimol/L: 16.0702

Surface and Volume Properties
Accessible surface: 591.553	Positive charged surface: 352.024	Negative charged surface: 239.529	Volume: 312.125
Hydrophobic surface: 474.417	Hydrophilic surface: 117.136

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.