MMsINC Database Search


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MMsINC code: MMs02322302

Type: Neutral
Formula: C₁₉H₁₄O₃

SMILES:

OC(=O)c1c(cccc1C)C(=O)c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H14O3/c1-12-6-4-11-16(17(12)19(21)22)18(20)15-10-5-8-13-7-2-3-9-14(13)15/h2-11H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.9974 kcal/mol

Physical Properties
Molecular Weight: 290.318 g/mol	logS: -5.77889	SlogP: 4.07742	Reactive groups: 0

Topological Properties
Globularity: 0.166202	Sterimol/B1: 3.9053	Sterimol/B2: 4.3233	Sterimol/B3: 4.4952
Sterimol/B4: 5.29977	Sterimol/L: 13.7981

Surface and Volume Properties
Accessible surface: 506.561	Positive charged surface: 263.063	Negative charged surface: 236.86	Volume: 277.75
Hydrophobic surface: 410.847	Hydrophilic surface: 95.714

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

MMs02322303
NCID-ZINC01689902