MMsINC Database Search


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MMsINC code: MMs01743884

Type: Neutral
Formula: C₁₉H₁₄O₄

SMILES:

O1c2c(ccc(OC)c2)C(=O)C(c2oc3c(c2)cccc3)=C1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7674 kcal/mol

Physical Properties
Molecular Weight: 306.317 g/mol	logS: -6.21407	SlogP: 4.4477	Reactive groups: 1

Topological Properties
Globularity: 0.0343984	Sterimol/B1: 2.22976	Sterimol/B2: 2.80733	Sterimol/B3: 4.16409
Sterimol/B4: 6.60487	Sterimol/L: 18.1706

Surface and Volume Properties
Accessible surface: 543.386	Positive charged surface: 331.77	Negative charged surface: 206.936	Volume: 287.75
Hydrophobic surface: 492.637	Hydrophilic surface: 50.749

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.