MMsINC Database Search


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MMsINC code: MMs01736709

Type: Neutral
Formula: C₁₆H₁₄O₃

SMILES:

o1c2c(cc(O)cc2)c(C(O)c2ccccc2)c1C

InChI:

InChI=1/C16H14O3/c1-10-15(16(18)11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-10/h2-9,16-18H,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0502 kcal/mol

Physical Properties
Molecular Weight: 254.285 g/mol	logS: -4.32057	SlogP: 3.62402	Reactive groups: 0

Topological Properties
Globularity: 0.161124	Sterimol/B1: 2.42755	Sterimol/B2: 3.2629	Sterimol/B3: 4.19762
Sterimol/B4: 8.44177	Sterimol/L: 12.2969

Surface and Volume Properties
Accessible surface: 457.584	Positive charged surface: 247.122	Negative charged surface: 206.791	Volume: 246.625
Hydrophobic surface: 359.095	Hydrophilic surface: 98.489

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.