MMsINC Database Search


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MMsINC code: MMs01769474

Type: Neutral
Formula: C₁₈H₁₅N₃O₄

SMILES:

O1c2c(OC1)cc1nc(nc(c1c2)C)NC(=O)c1ccccc1OC

InChI:

InChI=1/C18H15N3O4/c1-10-12-7-15-16(25-9-24-15)8-13(12)20-18(19-10)21-17(22)11-5-3-4-6-14(11)23-2/h3-8H,9H2,1-2H3,(H,19,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3678 kcal/mol

Physical Properties
Molecular Weight: 337.335 g/mol	logS: -5.02502	SlogP: 2.92782	Reactive groups: 0

Topological Properties
Globularity: 0.00710483	Sterimol/B1: 2.28325	Sterimol/B2: 2.50802	Sterimol/B3: 2.79906
Sterimol/B4: 8.77969	Sterimol/L: 16.9908

Surface and Volume Properties
Accessible surface: 573.88	Positive charged surface: 388.024	Negative charged surface: 180.545	Volume: 304.875
Hydrophobic surface: 442.691	Hydrophilic surface: 131.189

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.