MMsINC Database Search


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MMsINC code: MMs01816732

Type: Neutral
Formula: C₂₃H₁₆ClFO₄

SMILES:

Clc1cccc(F)c1COc1cc2OC=C(c3ccccc3OC)C(=O)c2cc1

InChI:

InChI=1/C23H16ClFO4/c1-27-21-8-3-2-5-15(21)17-12-29-22-11-14(9-10-16(22)23(17)26)28-13-18-19(24)6-4-7-20(18)25/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.111 kcal/mol

Physical Properties
Molecular Weight: 410.828 g/mol	logS: -7.15721	SlogP: 5.9493	Reactive groups: 1

Topological Properties
Globularity: 0.0356893	Sterimol/B1: 2.35695	Sterimol/B2: 3.29161	Sterimol/B3: 4.0609
Sterimol/B4: 7.2046	Sterimol/L: 20.5834

Surface and Volume Properties
Accessible surface: 657.074	Positive charged surface: 344.073	Negative charged surface: 313.001	Volume: 363
Hydrophobic surface: 619.337	Hydrophilic surface: 37.737

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.