MMsINC Database Search


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MMsINC code: MMs00936759

Type: Neutral
Formula: C₁₉H₁₄O₄

SMILES:

O1c2c(C=C(c3ccc(OC)cc3)C1=O)cc1c(occ1C)c2

InChI:

InChI=1/C19H14O4/c1-11-10-22-18-9-17-13(7-15(11)18)8-16(19(20)23-17)12-3-5-14(21-2)6-4-12/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4618 kcal/mol

Physical Properties
Molecular Weight: 306.317 g/mol	logS: -6.20467	SlogP: 4.20942	Reactive groups: 0

Topological Properties
Globularity: 0.027735	Sterimol/B1: 2.05985	Sterimol/B2: 2.95973	Sterimol/B3: 3.45714
Sterimol/B4: 6.95578	Sterimol/L: 18.0004

Surface and Volume Properties
Accessible surface: 547.264	Positive charged surface: 314.149	Negative charged surface: 227.31	Volume: 287.125
Hydrophobic surface: 469.479	Hydrophilic surface: 77.785

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.