MMsINC Database Search


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MMsINC code: MMs00605539

Type: Neutral
Formula: C₁₇H₁₄O₃

SMILES:

O1c2c(cc(CC=C)c(O)c2C)-c2c(cccc2)C1=O

InChI:

InChI=1/C17H14O3/c1-3-6-11-9-14-12-7-4-5-8-13(12)17(19)20-16(14)10(2)15(11)18/h3-5,7-9,18H,1,6H2,2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2313 kcal/mol

Physical Properties
Molecular Weight: 266.296 g/mol	logS: -5.64824	SlogP: 3.62869	Reactive groups: 0

Topological Properties
Globularity: 0.0418578	Sterimol/B1: 2.01256	Sterimol/B2: 2.84813	Sterimol/B3: 3.17177
Sterimol/B4: 8.4374	Sterimol/L: 12.9839

Surface and Volume Properties
Accessible surface: 480.709	Positive charged surface: 266.909	Negative charged surface: 203.818	Volume: 258.875
Hydrophobic surface: 348.642	Hydrophilic surface: 132.067

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.