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MMsINC code: MMs00708705

Type: Neutral
Formula: C₂₁H₂₃ClN₂O₂

SMILES:

Clc1cc(C(=O)c2ccccc2)c(NC(=O)CN2CCC(CC2)C)cc1

InChI:

InChI=1/C21H23ClN2O2/c1-15-9-11-24(12-10-15)14-20(25)23-19-8-7-17(22)13-18(19)21(26)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.719 kcal/mol

Physical Properties
Molecular Weight: 370.88 g/mol	logS: -5.56133	SlogP: 4.2414	Reactive groups: 0

Topological Properties
Globularity: 0.111826	Sterimol/B1: 3.21005	Sterimol/B2: 5.08618	Sterimol/B3: 6.29618
Sterimol/B4: 6.36368	Sterimol/L: 15.8545

Surface and Volume Properties
Accessible surface: 629.569	Positive charged surface: 376.059	Negative charged surface: 253.51	Volume: 357.875
Hydrophobic surface: 553.467	Hydrophilic surface: 76.102

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

MMs00708706
CHEMBRIDGE-ZINC02392562