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MMsINC code: MMs02402237

Type: Neutral
Formula: C₂₀H₂₄ClN₃O

SMILES:

Clc1cc2nc3c(cc(OC)cc3)c(NCCCCN(C)C)c2cc1

InChI:

InChI=1/C20H24ClN3O/c1-24(2)11-5-4-10-22-20-16-8-6-14(21)12-19(16)23-18-9-7-15(25-3)13-17(18)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.265 kcal/mol

Physical Properties
Molecular Weight: 357.885 g/mol	logS: -4.70266	SlogP: 4.8037	Reactive groups: 0

Topological Properties
Globularity: 0.0441589	Sterimol/B1: 3.2862	Sterimol/B2: 3.33338	Sterimol/B3: 5.84064
Sterimol/B4: 9.88167	Sterimol/L: 15.9793

Surface and Volume Properties
Accessible surface: 650.938	Positive charged surface: 449.171	Negative charged surface: 191.771	Volume: 353.125
Hydrophobic surface: 594.892	Hydrophilic surface: 56.046

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02402238
NCID-ZINC04769462