MMsINC Database Search


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MMsINC code: MMs00106119

Type: Neutral
Formula: C₁₈H₁₂O₄

SMILES:

O1c2cc(OC(=O)\C=C\c3ccccc3)ccc2C=CC1=O

InChI:

InChI=1/C18H12O4/c19-17(10-6-13-4-2-1-3-5-13)21-15-9-7-14-8-11-18(20)22-16(14)12-15/h1-12H/b10-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7655 kcal/mol

Physical Properties
Molecular Weight: 292.29 g/mol	logS: -5.39088	SlogP: 3.2376	Reactive groups: 0

Topological Properties
Globularity: 0.0393401	Sterimol/B1: 3.16296	Sterimol/B2: 3.46928	Sterimol/B3: 3.74659
Sterimol/B4: 4.31844	Sterimol/L: 18.5483

Surface and Volume Properties
Accessible surface: 539.711	Positive charged surface: 263.499	Negative charged surface: 276.212	Volume: 273.5
Hydrophobic surface: 437.617	Hydrophilic surface: 102.094

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.