MMsINC Database Search


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MMsINC code: MMs02566359

Type: Neutral
Formula: C₂₅H₂₂O₃

SMILES:

O1c2c(C(=O)C(OCc3ccccc3)=C1c1ccc(cc1)C)c(cc(c2)C)C

InChI:

InChI=1/C25H22O3/c1-16-9-11-20(12-10-16)24-25(27-15-19-7-5-4-6-8-19)23(26)22-18(3)13-17(2)14-21(22)28-24/h4-14H,15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.909 kcal/mol

Physical Properties
Molecular Weight: 370.448 g/mol	logS: -7.82456	SlogP: 6.03896	Reactive groups: 1

Topological Properties
Globularity: 0.0363595	Sterimol/B1: 2.3653	Sterimol/B2: 3.18166	Sterimol/B3: 3.22175
Sterimol/B4: 10.6408	Sterimol/L: 16.5338

Surface and Volume Properties
Accessible surface: 647.423	Positive charged surface: 394.457	Negative charged surface: 252.966	Volume: 372.75
Hydrophobic surface: 618.205	Hydrophilic surface: 29.218

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: 1

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Ions/Tautomers related molecules: no related molecules available.