MMsINC Database Search


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MMsINC code: MMs03780711

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

Oc1c2c(c(cc1)C)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C15H10O3/c1-8-6-7-11(16)13-12(8)14(17)9-4-2-3-5-10(9)15(13)18/h2-7,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1497 kcal/mol

Physical Properties
Molecular Weight: 238.242 g/mol	logS: -3.99697	SlogP: 2.47602	Reactive groups: 0

Topological Properties
Globularity: 0.0158977	Sterimol/B1: 1.969	Sterimol/B2: 2.2493	Sterimol/B3: 2.49478
Sterimol/B4: 7.38321	Sterimol/L: 12.3896

Surface and Volume Properties
Accessible surface: 422.586	Positive charged surface: 237.294	Negative charged surface: 185.292	Volume: 219.75
Hydrophobic surface: 322.812	Hydrophilic surface: 99.774

Pharmacophoric Properties
Hydrogen bond donors: 1	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.