MMsINC Database Search


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MMsINC code: MMs00094033

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O(C)c1ccc(cc1)CNC(=O)C=1C(=O)N(c2c(cccc2)C=1O)C

InChI:

InChI=1/C19H18N2O4/c1-21-15-6-4-3-5-14(15)17(22)16(19(21)24)18(23)20-11-12-7-9-13(25-2)10-8-12/h3-10,22H,11H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.0571 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -3.78372	SlogP: 2.5235	Reactive groups: 0

Topological Properties
Globularity: 0.0835999	Sterimol/B1: 2.30036	Sterimol/B2: 2.35926	Sterimol/B3: 5.53421
Sterimol/B4: 7.38883	Sterimol/L: 17.3473

Surface and Volume Properties
Accessible surface: 592.294	Positive charged surface: 385.803	Negative charged surface: 206.492	Volume: 316
Hydrophobic surface: 473.919	Hydrophilic surface: 118.375

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.