MMsINC Database Search


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MMsINC code: MMs02732152

Type: Neutral
Formula: C₂₀H₁₈O₄

SMILES:

o1c2c(cc(OC)cc2)c(C(=O)c2ccc(cc2)C)c1CC(=O)C

InChI:

InChI=1/C20H18O4/c1-12-4-6-14(7-5-12)20(22)19-16-11-15(23-3)8-9-17(16)24-18(19)10-13(2)21/h4-9,11H,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3935 kcal/mol

Physical Properties
Molecular Weight: 322.36 g/mol	logS: -5.95398	SlogP: 4.11229	Reactive groups: 1

Topological Properties
Globularity: 0.116714	Sterimol/B1: 2.14265	Sterimol/B2: 2.82003	Sterimol/B3: 4.84101
Sterimol/B4: 11.2855	Sterimol/L: 14.3944

Surface and Volume Properties
Accessible surface: 590.304	Positive charged surface: 364.073	Negative charged surface: 222.91	Volume: 312.75
Hydrophobic surface: 510.944	Hydrophilic surface: 79.36

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.