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MMsINC code: MMs02983893

Type: Neutral
Formula: C₂₀H₂₇ClN₂O₂

SMILES:

ClCC(=O)N(C(C(=O)NC1CCCCC1)c1ccc(cc1)C)C1CC1

InChI:

InChI=1/C20H27ClN2O2/c1-14-7-9-15(10-8-14)19(23(17-11-12-17)18(24)13-21)20(25)22-16-5-3-2-4-6-16/h7-10,16-17,19H,2-6,11-13H2,1H3,(H,22,25)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.248 kcal/mol

Physical Properties
Molecular Weight: 362.901 g/mol	logS: -4.86031	SlogP: 3.81032	Reactive groups: 1

Topological Properties
Globularity: 0.189915	Sterimol/B1: 2.22344	Sterimol/B2: 4.10978	Sterimol/B3: 5.53131
Sterimol/B4: 10.3801	Sterimol/L: 14.3188

Surface and Volume Properties
Accessible surface: 634.45	Positive charged surface: 399.941	Negative charged surface: 234.509	Volume: 357.625
Hydrophobic surface: 492.134	Hydrophilic surface: 142.316

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.