MMsINC Database Search


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MMsINC code: MMs00213888

Type: Neutral
Formula: C₁₈H₁₃NO₃

SMILES:

O1c2cc(NC(=O)c3c4c(ccc3)cccc4)ccc2OC1

InChI:

InChI=1/C18H13NO3/c20-18(15-7-3-5-12-4-1-2-6-14(12)15)19-13-8-9-16-17(10-13)22-11-21-16/h1-10H,11H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.45 kcal/mol

Physical Properties
Molecular Weight: 291.306 g/mol	logS: -5.18785	SlogP: 3.8208	Reactive groups: 0

Topological Properties
Globularity: 0.022438	Sterimol/B1: 2.69518	Sterimol/B2: 2.91989	Sterimol/B3: 3.31739
Sterimol/B4: 7.03557	Sterimol/L: 15.5952

Surface and Volume Properties
Accessible surface: 510.043	Positive charged surface: 288.252	Negative charged surface: 211.41	Volume: 269.25
Hydrophobic surface: 426.069	Hydrophilic surface: 83.974

Pharmacophoric Properties
Hydrogen bond donors: 1	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.