MMsINC Database Search


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MMsINC code: MMs00122201

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O(CC)c1ccc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)C)cc1

InChI:

InChI=1/C19H18N2O4/c1-3-25-13-10-8-12(9-11-13)20-18(23)16-17(22)14-6-4-5-7-15(14)21(2)19(16)24/h4-11,22H,3H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7018 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.16689	SlogP: 2.9695	Reactive groups: 0

Topological Properties
Globularity: 0.0152873	Sterimol/B1: 2.40777	Sterimol/B2: 3.31158	Sterimol/B3: 4.60433
Sterimol/B4: 4.79227	Sterimol/L: 19.3235

Surface and Volume Properties
Accessible surface: 592.321	Positive charged surface: 376.523	Negative charged surface: 215.799	Volume: 315.5
Hydrophobic surface: 464.624	Hydrophilic surface: 127.697

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.