MMsINC Database Search


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MMsINC code: MMs01000316

Type: Neutral
Formula: C₂₀H₁₈N₄O₄

SMILES:

O=C1N(C)C(=O)NC1(N1C(c2ccccc2)C(=O)N(C)C1=O)c1ccccc1

InChI:

InChI=1/C20H18N4O4/c1-22-16(25)15(13-9-5-3-6-10-13)24(19(22)28)20(14-11-7-4-8-12-14)17(26)23(2)18(27)21-20/h3-12,15H,1-2H3,(H,21,27)/t15-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.2122 kcal/mol

Physical Properties
Molecular Weight: 378.388 g/mol	logS: -3.96421	SlogP: 2.0633	Reactive groups: 0

Topological Properties
Globularity: 0.67332	Sterimol/B1: 2.31854	Sterimol/B2: 2.77588	Sterimol/B3: 7.62342
Sterimol/B4: 8.4207	Sterimol/L: 10.5506

Surface and Volume Properties
Accessible surface: 576.998	Positive charged surface: 353.212	Negative charged surface: 223.785	Volume: 337.375
Hydrophobic surface: 463.298	Hydrophilic surface: 113.7

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.