MMsINC Database Search


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MMsINC code: MMs00747321

Type: Neutral
Formula: C₁₈H₂₀ClNO₂

SMILES:

Clc1cc(C(=O)NC(CCc2ccccc2)C)c(OC)cc1

InChI:

InChI=1/C18H20ClNO2/c1-13(8-9-14-6-4-3-5-7-14)20-18(21)16-12-15(19)10-11-17(16)22-2/h3-7,10-13H,8-9H2,1-2H3,(H,20,21)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4359 kcal/mol

Physical Properties
Molecular Weight: 317.816 g/mol	logS: -4.67403	SlogP: 4.09967	Reactive groups: 0

Topological Properties
Globularity: 0.0786185	Sterimol/B1: 2.30379	Sterimol/B2: 2.39989	Sterimol/B3: 5.48765
Sterimol/B4: 8.77643	Sterimol/L: 16.482

Surface and Volume Properties
Accessible surface: 592.274	Positive charged surface: 346.277	Negative charged surface: 245.997	Volume: 310.125
Hydrophobic surface: 541.691	Hydrophilic surface: 50.583

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.