MMsINC Database Search


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MMsINC code: MMs01584112

Type: Neutral
Formula: C₁₆H₁₁NO₅

SMILES:

Oc1cc(ccc1)C(OCN1C(=O)c2c(cccc2)C1=O)=O

InChI:

InChI=1/C16H11NO5/c18-11-5-3-4-10(8-11)16(21)22-9-17-14(19)12-6-1-2-7-13(12)15(17)20/h1-8,18H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.325 kcal/mol

Physical Properties
Molecular Weight: 297.266 g/mol	logS: -3.45435	SlogP: 1.8027	Reactive groups: 0

Topological Properties
Globularity: 0.0954742	Sterimol/B1: 2.68348	Sterimol/B2: 3.51196	Sterimol/B3: 4.87581
Sterimol/B4: 5.53009	Sterimol/L: 15.0466

Surface and Volume Properties
Accessible surface: 516.27	Positive charged surface: 287.28	Negative charged surface: 228.989	Volume: 262.25
Hydrophobic surface: 360.073	Hydrophilic surface: 156.197

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.