MMsINC Database Search


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MMsINC code: MMs01740596

Type: Neutral
Formula: C₁₇H₁₄O₃

SMILES:

o1c2c(cc(O)cc2)c(C(=O)c2ccc(cc2)C)c1C

InChI:

InChI=1/C17H14O3/c1-10-3-5-12(6-4-10)17(19)16-11(2)20-15-8-7-13(18)9-14(15)16/h3-9,18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7816 kcal/mol

Physical Properties
Molecular Weight: 266.296 g/mol	logS: -5.32838	SlogP: 3.98624	Reactive groups: 0

Topological Properties
Globularity: 0.134727	Sterimol/B1: 2.68621	Sterimol/B2: 3.79773	Sterimol/B3: 5.35976
Sterimol/B4: 6.85451	Sterimol/L: 14.2178

Surface and Volume Properties
Accessible surface: 504.636	Positive charged surface: 273.858	Negative charged surface: 227.206	Volume: 261.125
Hydrophobic surface: 411.962	Hydrophilic surface: 92.674

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.