MMsINC Database Search


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MMsINC code: MMs00977281

Type: Neutral
Formula: C₁₇H₁₅NO₄

SMILES:

O(C)c1ccc(N2Cc3c(c(ccc3)C(OC)=O)C2=O)cc1

InChI:

InChI=1/C17H15NO4/c1-21-13-8-6-12(7-9-13)18-10-11-4-3-5-14(17(20)22-2)15(11)16(18)19/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6949 kcal/mol

Physical Properties
Molecular Weight: 297.31 g/mol	logS: -3.80339	SlogP: 2.9086	Reactive groups: 0

Topological Properties
Globularity: 0.00789744	Sterimol/B1: 2.37706	Sterimol/B2: 2.38005	Sterimol/B3: 4.21687
Sterimol/B4: 5.9707	Sterimol/L: 17.1205

Surface and Volume Properties
Accessible surface: 527.614	Positive charged surface: 367.416	Negative charged surface: 160.197	Volume: 279.625
Hydrophobic surface: 461.508	Hydrophilic surface: 66.106

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.