MMsINC Database Search


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MMsINC code: MMs02422115

Type: Neutral
Formula: C₁₇H₁₅NO₅

SMILES:

O(CCOC)c1cc(O)c2c(c1N)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C17H15NO5/c1-22-6-7-23-12-8-11(19)13-14(15(12)18)17(21)10-5-3-2-4-9(10)16(13)20/h2-5,8,19H,6-7,18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.316 kcal/mol

Physical Properties
Molecular Weight: 313.309 g/mol	logS: -3.43695	SlogP: 1.775	Reactive groups: 0

Topological Properties
Globularity: 0.0147372	Sterimol/B1: 2.37671	Sterimol/B2: 3.1725	Sterimol/B3: 3.49025
Sterimol/B4: 6.28021	Sterimol/L: 17.4917

Surface and Volume Properties
Accessible surface: 544.662	Positive charged surface: 386.676	Negative charged surface: 157.986	Volume: 280.125
Hydrophobic surface: 385.474	Hydrophilic surface: 159.188

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.