MMsINC Database Search


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MMsINC code: MMs02459988

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

Oc1c(cc2c(c1O)C(=O)c1c(cccc1)C2=O)C

InChI:

InChI=1/C15H10O4/c1-7-6-10-11(15(19)12(7)16)14(18)9-5-3-2-4-8(9)13(10)17/h2-6,16,19H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5064 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.32157	SlogP: 2.18162	Reactive groups: 0

Topological Properties
Globularity: 0.0154088	Sterimol/B1: 2.54162	Sterimol/B2: 2.56349	Sterimol/B3: 3.16699
Sterimol/B4: 5.86047	Sterimol/L: 13.3931

Surface and Volume Properties
Accessible surface: 436.664	Positive charged surface: 247.952	Negative charged surface: 188.712	Volume: 227.125
Hydrophobic surface: 289.532	Hydrophilic surface: 147.132

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.