MMsINC Database Search


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MMsINC code: MMs02019991

Type: Neutral
Formula: C₁₉H₁₅N₃O₄

SMILES:

o1c2c(nc1-c1ccccc1NC(=O)CN1C(=O)CCC1=O)cccc2

InChI:

InChI=1/C19H15N3O4/c23-16(11-22-17(24)9-10-18(22)25)20-13-6-2-1-5-12(13)19-21-14-7-3-4-8-15(14)26-19/h1-8H,9-11H2,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1326 kcal/mol

Physical Properties
Molecular Weight: 349.346 g/mol	logS: -5.26921	SlogP: 2.5823	Reactive groups: 0

Topological Properties
Globularity: 0.0367151	Sterimol/B1: 2.47325	Sterimol/B2: 3.38454	Sterimol/B3: 4.14191
Sterimol/B4: 10.0255	Sterimol/L: 16.2823

Surface and Volume Properties
Accessible surface: 591.871	Positive charged surface: 337.196	Negative charged surface: 254.675	Volume: 313
Hydrophobic surface: 450.844	Hydrophilic surface: 141.027

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.