MMsINC Database Search


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MMsINC code: MMs03219160

Type: Neutral
Formula: C₂₅H₁₈O₃

SMILES:

O(C(=O)C)c1c2c3c(cc(OC)cc3)ccc2cc2c1c1c(cc2)cccc1

InChI:

InChI=1/C25H18O3/c1-15(26)28-25-23-18(9-7-16-5-3-4-6-21(16)23)13-19-10-8-17-14-20(27-2)11-12-22(17)24(19)25/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=191.945 kcal/mol

Physical Properties
Molecular Weight: 366.416 g/mol	logS: -9.3003	SlogP: 6.2333	Reactive groups: 0

Topological Properties
Globularity: 0.0210153	Sterimol/B1: 2.02332	Sterimol/B2: 2.86542	Sterimol/B3: 3.56875
Sterimol/B4: 9.33503	Sterimol/L: 16.5594

Surface and Volume Properties
Accessible surface: 580.509	Positive charged surface: 304.03	Negative charged surface: 235.577	Volume: 349.75
Hydrophobic surface: 543.006	Hydrophilic surface: 37.503

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.