MMsINC Database Search


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MMsINC code: MMs00623653

Type: Neutral
Formula: C₂₀H₂₄ClNO₂

SMILES:

Clc1ccc(OC(C(=O)N(Cc2ccccc2)C(C)C)(C)C)cc1

InChI:

InChI=1/C20H24ClNO2/c1-15(2)22(14-16-8-6-5-7-9-16)19(23)20(3,4)24-18-12-10-17(21)11-13-18/h5-13,15H,14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=258.71 kcal/mol

Physical Properties
Molecular Weight: 345.87 g/mol	logS: -5.31287	SlogP: 5.201	Reactive groups: 0

Topological Properties
Globularity: 0.198945	Sterimol/B1: 2.52742	Sterimol/B2: 3.84521	Sterimol/B3: 4.54353
Sterimol/B4: 7.50822	Sterimol/L: 15.8823

Surface and Volume Properties
Accessible surface: 562.396	Positive charged surface: 304.894	Negative charged surface: 257.502	Volume: 337.25
Hydrophobic surface: 481.071	Hydrophilic surface: 81.325

Pharmacophoric Properties
Hydrogen bond donors: 0	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.