MMsINC Database Search


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MMsINC code: MMs02279926

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

Oc1c2c(cc(c1)C(O)=O)Cc1c(C2=O)c(O)ccc1

InChI:

InChI=1/C15H10O5/c16-10-3-1-2-7-4-8-5-9(15(19)20)6-11(17)13(8)14(18)12(7)10/h1-3,5-6,16-17H,4H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4721 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -3.17407	SlogP: 1.93117	Reactive groups: 0

Topological Properties
Globularity: 0.0181264	Sterimol/B1: 2.10427	Sterimol/B2: 3.07955	Sterimol/B3: 3.3224
Sterimol/B4: 6.01349	Sterimol/L: 14.4557

Surface and Volume Properties
Accessible surface: 454.311	Positive charged surface: 268.019	Negative charged surface: 186.292	Volume: 232.875
Hydrophobic surface: 246.03	Hydrophilic surface: 208.281

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs02279927
NCID-ZINC01636654