MMsINC Database Search


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MMsINC code: MMs02091788

Type: Neutral
Formula: C₁₅H₁₄O₄

SMILES:

O(C)c1cc(C(=O)Cc2ccccc2)c(O)cc1O

InChI:

InChI=1/C15H14O4/c1-19-15-8-11(13(17)9-14(15)18)12(16)7-10-5-3-2-4-6-10/h2-6,8-9,17-18H,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.962 kcal/mol

Physical Properties
Molecular Weight: 258.273 g/mol	logS: -2.84564	SlogP: 2.53177	Reactive groups: 0

Topological Properties
Globularity: 0.0742826	Sterimol/B1: 2.32085	Sterimol/B2: 3.46246	Sterimol/B3: 3.81131
Sterimol/B4: 7.67348	Sterimol/L: 14.8581

Surface and Volume Properties
Accessible surface: 489.101	Positive charged surface: 323.436	Negative charged surface: 165.665	Volume: 245.5
Hydrophobic surface: 366.047	Hydrophilic surface: 123.054

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.