MMsINC Database Search


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MMsINC code: MMs01060447

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O1CCOc2c1cc(NC(=O)c1cc(n3c1C=CC=C3)C(=O)C)cc2

InChI:

InChI=1/C19H16N2O4/c1-12(22)16-11-14(15-4-2-3-7-21(15)16)19(23)20-13-5-6-17-18(10-13)25-9-8-24-17/h2-7,10-11H,8-9H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.182 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -3.4606	SlogP: 3.2117	Reactive groups: 0

Topological Properties
Globularity: 0.0211305	Sterimol/B1: 1.98212	Sterimol/B2: 2.49706	Sterimol/B3: 3.52104
Sterimol/B4: 8.96506	Sterimol/L: 16.9408

Surface and Volume Properties
Accessible surface: 571.405	Positive charged surface: 341.806	Negative charged surface: 229.6	Volume: 311
Hydrophobic surface: 474.102	Hydrophilic surface: 97.303

Pharmacophoric Properties
Hydrogen bond donors: 1	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.