MMsINC Database Search


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MMsINC code: MMs00107538

Type: Neutral
Formula: C₁₇H₁₇Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1OC(C(=O)Nc1cccc(C)c1C)C

InChI:

InChI=1/C17H17Cl2NO2/c1-10-5-4-6-15(11(10)2)20-17(21)12(3)22-16-8-7-13(18)9-14(16)19/h4-9,12H,1-3H3,(H,20,21)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.278 kcal/mol

Physical Properties
Molecular Weight: 338.234 g/mol	logS: -5.86187	SlogP: 5.01624	Reactive groups: 0

Topological Properties
Globularity: 0.048119	Sterimol/B1: 2.50005	Sterimol/B2: 3.11797	Sterimol/B3: 4.56228
Sterimol/B4: 5.91563	Sterimol/L: 17.8186

Surface and Volume Properties
Accessible surface: 579.821	Positive charged surface: 270.166	Negative charged surface: 309.655	Volume: 307.375
Hydrophobic surface: 531.421	Hydrophilic surface: 48.4

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.