MMsINC Database Search


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MMsINC code: MMs01072090

Type: Neutral
Formula: C₁₈H₁₃NO₃

SMILES:

OC(=O)c1ccccc1C(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9532 kcal/mol

Physical Properties
Molecular Weight: 291.306 g/mol	logS: -5.20215	SlogP: 3.7903	Reactive groups: 0

Topological Properties
Globularity: 0.143389	Sterimol/B1: 3.05591	Sterimol/B2: 3.98651	Sterimol/B3: 4.77026
Sterimol/B4: 6.60071	Sterimol/L: 14.6465

Surface and Volume Properties
Accessible surface: 510.691	Positive charged surface: 276.579	Negative charged surface: 224.038	Volume: 272.5
Hydrophobic surface: 406.963	Hydrophilic surface: 103.728

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01072091
CHEMSTAR-ZINC00028113