MMsINC Database Search


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MMsINC code: MMs02283979

Type: Neutral
Formula: C₁₉H₁₆O₄

SMILES:

Oc1c2c(cc(cc2)C(OCCc2ccccc2)=O)ccc1O

InChI:

InChI=1/C19H16O4/c20-17-9-7-14-12-15(6-8-16(14)18(17)21)19(22)23-11-10-13-4-2-1-3-5-13/h1-9,12,20-21H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.2136 kcal/mol

Physical Properties
Molecular Weight: 308.333 g/mol	logS: -4.74996	SlogP: 3.65047	Reactive groups: 0

Topological Properties
Globularity: 0.0299936	Sterimol/B1: 3.61262	Sterimol/B2: 3.65234	Sterimol/B3: 3.94285
Sterimol/B4: 4.42107	Sterimol/L: 19.3457

Surface and Volume Properties
Accessible surface: 573.348	Positive charged surface: 328.397	Negative charged surface: 233.042	Volume: 294.5
Hydrophobic surface: 444.99	Hydrophilic surface: 128.358

Pharmacophoric Properties
Hydrogen bond donors: 2	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.