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MMsINC code: MMs02296023

Type: Neutral
Formula: C₁₈H₂₄Cl₂N₂O

SMILES:

Clc1cc(ccc1Cl)C(=O)N(C)C1CCCCC1N1CCCC1

InChI:

InChI=1/C18H24Cl2N2O/c1-21(18(23)13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)22-10-4-5-11-22/h8-9,12,16-17H,2-7,10-11H2,1H3/t16-,17+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.96 kcal/mol

Physical Properties
Molecular Weight: 355.309 g/mol	logS: -4.29979	SlogP: 4.4724	Reactive groups: 0

Topological Properties
Globularity: 0.216939	Sterimol/B1: 4.3142	Sterimol/B2: 4.83849	Sterimol/B3: 4.90364
Sterimol/B4: 5.8706	Sterimol/L: 14.779

Surface and Volume Properties
Accessible surface: 561.582	Positive charged surface: 332.892	Negative charged surface: 228.69	Volume: 327.625
Hydrophobic surface: 539.571	Hydrophilic surface: 22.011

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

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

MMs02296024
NCID-ZINC01657963