MMsINC Database Search


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MMsINC code: MMs01748854

Type: Neutral
Formula: C₁₈H₁₅N₃O₄

SMILES:

O=C1N(C)C(=O)c2c1cc(NC(=O)c1ccc(NC(=O)C)cc1)cc2

InChI:

InChI=1/C18H15N3O4/c1-10(22)19-12-5-3-11(4-6-12)16(23)20-13-7-8-14-15(9-13)18(25)21(2)17(14)24/h3-9H,1-2H3,(H,19,22)(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1227 kcal/mol

Physical Properties
Molecular Weight: 337.335 g/mol	logS: -4.11417	SlogP: 2.1231	Reactive groups: 0

Topological Properties
Globularity: 0.0139039	Sterimol/B1: 2.702	Sterimol/B2: 3.22273	Sterimol/B3: 4.261
Sterimol/B4: 4.31341	Sterimol/L: 19.8005

Surface and Volume Properties
Accessible surface: 577.815	Positive charged surface: 345.783	Negative charged surface: 232.032	Volume: 303.125
Hydrophobic surface: 401.757	Hydrophilic surface: 176.058

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.