MMsINC Database Search


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MMsINC code: MMs00721267

Type: Neutral
Formula: C₂₄H₂₀ClNO₅

SMILES:

Clc1cc(OC)c(NC(=O)COc2ccc-3c(OC(=O)c4c-3cccc4)c2C)cc1C

InChI:

InChI=1/C24H20ClNO5/c1-13-10-19(21(29-3)11-18(13)25)26-22(27)12-30-20-9-8-16-15-6-4-5-7-17(15)24(28)31-23(16)14(20)2/h4-11H,12H2,1-3H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.826 kcal/mol

Physical Properties
Molecular Weight: 437.879 g/mol	logS: -7.84398	SlogP: 5.18254	Reactive groups: 0

Topological Properties
Globularity: 0.0163655	Sterimol/B1: 2.10047	Sterimol/B2: 2.55838	Sterimol/B3: 4.23649
Sterimol/B4: 8.6901	Sterimol/L: 21.7132

Surface and Volume Properties
Accessible surface: 704.015	Positive charged surface: 403.976	Negative charged surface: 289.316	Volume: 393.625
Hydrophobic surface: 602.418	Hydrophilic surface: 101.597

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.