MMsINC Database Search


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MMsINC code: MMs02255014

Type: Neutral
Formula: C₁₉H₁₆O₃

SMILES:

O(C)c1ccc(cc1)Cc1c2c(ccc1C(O)=O)cccc2

InChI:

InChI=1/C19H16O3/c1-22-15-9-6-13(7-10-15)12-18-16-5-3-2-4-14(16)8-11-17(18)19(20)21/h2-11H,12H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.053 kcal/mol

Physical Properties
Molecular Weight: 292.334 g/mol	logS: -5.39892	SlogP: 4.13737	Reactive groups: 0

Topological Properties
Globularity: 0.129488	Sterimol/B1: 2.42342	Sterimol/B2: 4.7701	Sterimol/B3: 4.86411
Sterimol/B4: 7.24642	Sterimol/L: 13.5173

Surface and Volume Properties
Accessible surface: 502.943	Positive charged surface: 310.291	Negative charged surface: 183.8	Volume: 284.25
Hydrophobic surface: 419.821	Hydrophilic surface: 83.122

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

MMs02255015
NCID-ZINC01602140