MMsINC Database Search


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MMsINC code: MMs00930786

Type: Neutral
Formula: C₁₉H₁₉N₃O₅

SMILES:

O(C)c1cc2c(N(CC(=O)N)C(=O)N(C2=O)c2ccc(cc2)C)cc1OC

InChI:

InChI=1/C19H19N3O5/c1-11-4-6-12(7-5-11)22-18(24)13-8-15(26-2)16(27-3)9-14(13)21(19(22)25)10-17(20)23/h4-9H,10H2,1-3H3,(H2,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.141 kcal/mol

Physical Properties
Molecular Weight: 369.377 g/mol	logS: -4.40302	SlogP: 2.08432	Reactive groups: 0

Topological Properties
Globularity: 0.0606347	Sterimol/B1: 3.54795	Sterimol/B2: 3.72078	Sterimol/B3: 6.34379
Sterimol/B4: 6.79917	Sterimol/L: 17.0266

Surface and Volume Properties
Accessible surface: 616.655	Positive charged surface: 426.979	Negative charged surface: 189.676	Volume: 335
Hydrophobic surface: 441.736	Hydrophilic surface: 174.919

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.