MMsINC Database Search


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MMsINC code: MMs02678515

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O1CCOc2c1cc(NCC1=Cc3cc(OC)ccc3NC1=O)cc2

InChI:

InChI=1/C19H18N2O4/c1-23-15-3-4-16-12(9-15)8-13(19(22)21-16)11-20-14-2-5-17-18(10-14)25-7-6-24-17/h2-5,8-10,20H,6-7,11H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6031 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.11556	SlogP: 2.914	Reactive groups: 0

Topological Properties
Globularity: 0.0488136	Sterimol/B1: 2.33142	Sterimol/B2: 3.60705	Sterimol/B3: 3.99804
Sterimol/B4: 6.4397	Sterimol/L: 19.7438

Surface and Volume Properties
Accessible surface: 589.352	Positive charged surface: 416.762	Negative charged surface: 172.589	Volume: 314
Hydrophobic surface: 477.775	Hydrophilic surface: 111.577

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.