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MMsINC code: MMs01160147

Type: Neutral
Formula: C₂₄H₂₇ClN₂O₂

SMILES:

Clc1ccc(cc1)-c1n(c(C)c(c1)C(=O)NCCCCC)-c1cc(OC)ccc1

InChI:

InChI=1/C24H27ClN2O2/c1-4-5-6-14-26-24(28)22-16-23(18-10-12-19(25)13-11-18)27(17(22)2)20-8-7-9-21(15-20)29-3/h7-13,15-16H,4-6,14H2,1-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.7421 kcal/mol

Physical Properties
Molecular Weight: 410.945 g/mol	logS: -6.74476	SlogP: 6.03472	Reactive groups: 0

Topological Properties
Globularity: 0.0309734	Sterimol/B1: 3.31003	Sterimol/B2: 4.22067	Sterimol/B3: 4.53434
Sterimol/B4: 8.27211	Sterimol/L: 20.5222

Surface and Volume Properties
Accessible surface: 725.495	Positive charged surface: 457.465	Negative charged surface: 268.029	Volume: 409.25
Hydrophobic surface: 648.532	Hydrophilic surface: 76.963

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.