MMsINC Database Search


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MMsINC code: MMs01848181

Type: Neutral
Formula: C₂₂H₁₅NO₄

SMILES:

O(C(=O)C)c1cc(N2C(=O)c3c(-c4c(cccc4)C2=O)cccc3)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=200.426 kcal/mol

Physical Properties
Molecular Weight: 357.365 g/mol	logS: -6.53849	SlogP: 4.0795	Reactive groups: 0

Topological Properties
Globularity: 0.114846	Sterimol/B1: 2.33466	Sterimol/B2: 5.63261	Sterimol/B3: 6.40357
Sterimol/B4: 7.03092	Sterimol/L: 15.8036

Surface and Volume Properties
Accessible surface: 584.386	Positive charged surface: 304.075	Negative charged surface: 271.462	Volume: 328
Hydrophobic surface: 500.663	Hydrophilic surface: 83.723

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.