MMsINC Database Search


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MMsINC code: MMs01737277

Type: Neutral
Formula: C₁₈H₁₅N₃O₄

SMILES:

O(C)c1ccccc1N1C(=O)c2[nH]c3c(cc(OC)cc3)c2NC1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4048 kcal/mol

Physical Properties
Molecular Weight: 337.335 g/mol	logS: -4.19935	SlogP: 3.3774	Reactive groups: 0

Topological Properties
Globularity: 0.0777764	Sterimol/B1: 3.45844	Sterimol/B2: 4.83538	Sterimol/B3: 4.90211
Sterimol/B4: 4.98693	Sterimol/L: 17.8423

Surface and Volume Properties
Accessible surface: 570.634	Positive charged surface: 371.181	Negative charged surface: 193.225	Volume: 300.75
Hydrophobic surface: 434.846	Hydrophilic surface: 135.788

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.