MMsINC Database Search


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MMsINC code: MMs01931321

Type: Neutral
Formula: C₂₀H₁₆N₂O₅

SMILES:

O1C(c2c(cccc2)C1=O)C1C(=O)N(c2cccc(C)c2C)C(=O)NC1=O

InChI:

InChI=1/C20H16N2O5/c1-10-6-5-9-14(11(10)2)22-18(24)15(17(23)21-20(22)26)16-12-7-3-4-8-13(12)19(25)27-16/h3-9,15-16H,1-2H3,(H,21,23,26)/t15-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6081 kcal/mol

Physical Properties
Molecular Weight: 364.357 g/mol	logS: -4.935	SlogP: 2.50964	Reactive groups: 0

Topological Properties
Globularity: 0.0761513	Sterimol/B1: 2.97931	Sterimol/B2: 3.21204	Sterimol/B3: 4.67271
Sterimol/B4: 6.2861	Sterimol/L: 16.258

Surface and Volume Properties
Accessible surface: 557.695	Positive charged surface: 300.723	Negative charged surface: 256.972	Volume: 321.75
Hydrophobic surface: 396.308	Hydrophilic surface: 161.387

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.