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MMsINC code: MMs00891671

Type: Neutral
Formula: C₂₀H₂₄ClN₃O

SMILES:

Clc1ccc(NC(=O)N(C(C)c2ncccc2)C2CCCCC2)cc1

InChI:

InChI=1/C20H24ClN3O/c1-15(19-9-5-6-14-22-19)24(18-7-3-2-4-8-18)20(25)23-17-12-10-16(21)11-13-17/h5-6,9-15,18H,2-4,7-8H2,1H3,(H,23,25)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.689 kcal/mol

Physical Properties
Molecular Weight: 357.885 g/mol	logS: -4.51752	SlogP: 5.7583	Reactive groups: 0

Topological Properties
Globularity: 0.194143	Sterimol/B1: 2.2459	Sterimol/B2: 4.31031	Sterimol/B3: 6.5355
Sterimol/B4: 7.00133	Sterimol/L: 16.0008

Surface and Volume Properties
Accessible surface: 598.547	Positive charged surface: 346.874	Negative charged surface: 251.673	Volume: 346.75
Hydrophobic surface: 560.08	Hydrophilic surface: 38.467

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.