MMsINC Database Search


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MMsINC code: MMs01371035

Type: Neutral
Formula: C₂₃H₁₈O₄

SMILES:

O(C)c1cc(ccc1)C(OCC(=O)c1cc-2c(Cc3c-2cccc3)cc1)=O

InChI:

InChI=1/C23H18O4/c1-26-19-7-4-6-18(12-19)23(25)27-14-22(24)17-10-9-16-11-15-5-2-3-8-20(15)21(16)13-17/h2-10,12-13H,11,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.794 kcal/mol

Physical Properties
Molecular Weight: 358.393 g/mol	logS: -6.8135	SlogP: 4.30607	Reactive groups: 0

Topological Properties
Globularity: 0.00317814	Sterimol/B1: 2.37777	Sterimol/B2: 2.38034	Sterimol/B3: 4.73853
Sterimol/B4: 5.04081	Sterimol/L: 22.215

Surface and Volume Properties
Accessible surface: 646.42	Positive charged surface: 384.001	Negative charged surface: 251.32	Volume: 345.875
Hydrophobic surface: 561.003	Hydrophilic surface: 85.417

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.