MMsINC Database Search


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MMsINC code: MMs01073747

Type: Neutral
Formula: C₁₉H₁₅N₃O₄

SMILES:

Oc1cc2c(cc1C(=O)Nc1cc(cc(c1)C(=O)N)C(=O)N)cccc2

InChI:

InChI=1/C19H15N3O4/c20-17(24)12-5-13(18(21)25)7-14(6-12)22-19(26)15-8-10-3-1-2-4-11(10)9-16(15)23/h1-9,23H,(H2,20,24)(H2,21,25)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8008 kcal/mol

Physical Properties
Molecular Weight: 349.346 g/mol	logS: -5.37504	SlogP: 1.9955	Reactive groups: 0

Topological Properties
Globularity: 0.0235758	Sterimol/B1: 2.11978	Sterimol/B2: 3.4902	Sterimol/B3: 4.05835
Sterimol/B4: 6.76809	Sterimol/L: 17.2435

Surface and Volume Properties
Accessible surface: 585.889	Positive charged surface: 321.02	Negative charged surface: 254.055	Volume: 312.25
Hydrophobic surface: 306.728	Hydrophilic surface: 279.161

Pharmacophoric Properties
Hydrogen bond donors: 4	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.