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MMsINC code: MMs00672324

Type: Neutral
Formula: C₂₀H₁₅N₃O₄

SMILES:

OC(=O)c1ccccc1C(=O)Nc1ccc(cc1)C(=O)Nc1ncccc1

InChI:

InChI=1/C20H15N3O4/c24-18(23-17-7-3-4-12-21-17)13-8-10-14(11-9-13)22-19(25)15-5-1-2-6-16(15)20(26)27/h1-12H,(H,22,25)(H,26,27)(H,21,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.357 kcal/mol

Physical Properties
Molecular Weight: 361.357 g/mol	logS: -4.34738	SlogP: 3.2844	Reactive groups: 0

Topological Properties
Globularity: 0.0109986	Sterimol/B1: 2.18184	Sterimol/B2: 3.1009	Sterimol/B3: 3.35237
Sterimol/B4: 6.75438	Sterimol/L: 20.504

Surface and Volume Properties
Accessible surface: 608.882	Positive charged surface: 355.829	Negative charged surface: 253.053	Volume: 329.875
Hydrophobic surface: 439.106	Hydrophilic surface: 169.776

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs00672325
CHEMBRIDGE-ZINC01150384