MMsINC Database Search


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MMsINC code: MMs02233387

Type: Neutral
Formula: C₂₅H₂₀O₃

SMILES:

O1c2cc(C)c(cc2-c2c(oc3cc(C)c(cc23)C)-c2c(cccc2)C1=O)C

InChI:

InChI=1/C25H20O3/c1-13-9-19-21(11-15(13)3)27-24-17-7-5-6-8-18(17)25(26)28-22-12-16(4)14(2)10-20(22)23(19)24/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.813 kcal/mol

Physical Properties
Molecular Weight: 368.432 g/mol	logS: -10.016	SlogP: 6.53308	Reactive groups: 0

Topological Properties
Globularity: 0.0729141	Sterimol/B1: 3.18151	Sterimol/B2: 4.24994	Sterimol/B3: 4.99479
Sterimol/B4: 8.7862	Sterimol/L: 13.9182

Surface and Volume Properties
Accessible surface: 604.908	Positive charged surface: 344.748	Negative charged surface: 255.873	Volume: 360.5
Hydrophobic surface: 557.193	Hydrophilic surface: 47.715

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.