MMsINC Database Search


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MMsINC code: MMs03524146

Type: Neutral
Formula: C₁₅H₁₀O₃

SMILES:

Oc1c2c(ccc1)C(=O)c1c(cc(cc1)C)C2=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9373 kcal/mol

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

Topological Properties
Globularity: 0.0130026	Sterimol/B1: 2.52279	Sterimol/B2: 2.54035	Sterimol/B3: 3.57988
Sterimol/B4: 5.46348	Sterimol/L: 13.4313

Surface and Volume Properties
Accessible surface: 429.49	Positive charged surface: 237.995	Negative charged surface: 191.495	Volume: 221.5
Hydrophobic surface: 319.173	Hydrophilic surface: 110.317

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.