MMsINC Database Search


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MMsINC code: MMs00746829

Type: Neutral
Formula: C₁₇H₂₀Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)N(CCCC)CC

InChI:

InChI=1/C17H20Cl2N2O2/c1-4-6-10-21(5-2)17(22)14-11(3)23-20-16(14)15-12(18)8-7-9-13(15)19/h7-9H,4-6,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8379 kcal/mol

Physical Properties
Molecular Weight: 355.265 g/mol	logS: -5.61993	SlogP: 5.21902	Reactive groups: 0

Topological Properties
Globularity: 0.176414	Sterimol/B1: 3.6595	Sterimol/B2: 4.63084	Sterimol/B3: 5.12751
Sterimol/B4: 7.01624	Sterimol/L: 14.5936

Surface and Volume Properties
Accessible surface: 560.206	Positive charged surface: 303.221	Negative charged surface: 256.985	Volume: 325.875
Hydrophobic surface: 496.806	Hydrophilic surface: 63.4

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.