MMsINC Database Search


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MMsINC code: MMs01713755

Type: Neutral
Formula: C₁₇H₁₇Cl₂NO₃

SMILES:

Clc1c(cccc1Cl)C(=O)N(Cc1cc(OC)c(OC)cc1)C

InChI:

InChI=1/C17H17Cl2NO3/c1-20(17(21)12-5-4-6-13(18)16(12)19)10-11-7-8-14(22-2)15(9-11)23-3/h4-9H,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8434 kcal/mol

Physical Properties
Molecular Weight: 354.233 g/mol	logS: -4.76226	SlogP: 4.5492	Reactive groups: 0

Topological Properties
Globularity: 0.109821	Sterimol/B1: 3.06353	Sterimol/B2: 4.01769	Sterimol/B3: 4.2199
Sterimol/B4: 7.1069	Sterimol/L: 15.1414

Surface and Volume Properties
Accessible surface: 565.336	Positive charged surface: 355.047	Negative charged surface: 210.288	Volume: 316.625
Hydrophobic surface: 520.222	Hydrophilic surface: 45.114

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.