MMsINC Database Search


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MMsINC code: MMs00689238

Type: Neutral
Formula: C₁₉H₁₈N₂O₅

SMILES:

O(C)c1ccc(OC)cc1NC(=O)C(N1C(=O)c2c(cccc2)C1=O)C

InChI:

InChI=1/C19H18N2O5/c1-11(21-18(23)13-6-4-5-7-14(13)19(21)24)17(22)20-15-10-12(25-2)8-9-16(15)26-3/h4-11H,1-3H3,(H,20,22)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.593 kcal/mol

Physical Properties
Molecular Weight: 354.362 g/mol	logS: -4.35913	SlogP: 2.327	Reactive groups: 0

Topological Properties
Globularity: 0.064487	Sterimol/B1: 2.51881	Sterimol/B2: 3.93008	Sterimol/B3: 4.37526
Sterimol/B4: 9.3077	Sterimol/L: 16.0871

Surface and Volume Properties
Accessible surface: 607.551	Positive charged surface: 403.32	Negative charged surface: 204.231	Volume: 326.375
Hydrophobic surface: 483.182	Hydrophilic surface: 124.369

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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: no related molecules available.