MMsINC Database Search


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MMsINC code: MMs03650406

Type: Neutral
Formula: C₂₄H₂₀ClNO₃

SMILES:

Clc1ccc(OCCn2cc(c3c2cccc3)C(=O)COc2ccccc2)cc1

InChI:

InChI=1/C24H20ClNO3/c25-18-10-12-20(13-11-18)28-15-14-26-16-22(21-8-4-5-9-23(21)26)24(27)17-29-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5656 kcal/mol

Physical Properties
Molecular Weight: 405.881 g/mol	logS: -6.29743	SlogP: 5.9018	Reactive groups: 0

Topological Properties
Globularity: 0.0557691	Sterimol/B1: 2.86379	Sterimol/B2: 3.70994	Sterimol/B3: 4.43805
Sterimol/B4: 10.3863	Sterimol/L: 19.7264

Surface and Volume Properties
Accessible surface: 707.562	Positive charged surface: 355.101	Negative charged surface: 346.35	Volume: 385.75
Hydrophobic surface: 650.67	Hydrophilic surface: 56.892

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.