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MMsINC code: MMs02801177

Type: Neutral
Formula: C₂₀H₂₀ClN₃O₂

SMILES:

ClC=1N=C(N(CC)CC)C(=O)N(C=1c1ccccc1O)c1ccccc1

InChI:

InChI=1/C20H20ClN3O2/c1-3-23(4-2)19-20(26)24(14-10-6-5-7-11-14)17(18(21)22-19)15-12-8-9-13-16(15)25/h5-13,25H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.233 kcal/mol

Physical Properties
Molecular Weight: 369.852 g/mol	logS: -5.3097	SlogP: 4.1531	Reactive groups: 0

Topological Properties
Globularity: 0.122226	Sterimol/B1: 3.53196	Sterimol/B2: 3.57498	Sterimol/B3: 4.45626
Sterimol/B4: 7.41169	Sterimol/L: 14.2386

Surface and Volume Properties
Accessible surface: 598.446	Positive charged surface: 363.203	Negative charged surface: 235.243	Volume: 348.125
Hydrophobic surface: 480.018	Hydrophilic surface: 118.428

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: no related molecules available.