MMsINC Database Search


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MMsINC code: MMs02211154

Type: Neutral
Formula: C₂₂H₁₅NO₄

SMILES:

O(C)c1cc(ccc1)C(=O)Nc1c2c(ccc1)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C22H15NO4/c1-27-14-7-4-6-13(12-14)22(26)23-18-11-5-10-17-19(18)21(25)16-9-3-2-8-15(16)20(17)24/h2-12H,1H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.277 kcal/mol

Physical Properties
Molecular Weight: 357.365 g/mol	logS: -5.90537	SlogP: 3.7229	Reactive groups: 0

Topological Properties
Globularity: 0.0126997	Sterimol/B1: 2.10017	Sterimol/B2: 3.30931	Sterimol/B3: 5.18663
Sterimol/B4: 6.71276	Sterimol/L: 18.2534

Surface and Volume Properties
Accessible surface: 585.825	Positive charged surface: 341.179	Negative charged surface: 244.646	Volume: 330.75
Hydrophobic surface: 485.013	Hydrophilic surface: 100.812

Pharmacophoric Properties
Hydrogen bond donors: 1	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.