MMsINC Database Search


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MMsINC code: MMs03407327

Type: Neutral
Formula: C₁₅H₂₀ClNO

SMILES:

Clc1ccc(cc1)\C=C/C(=O)N(C(C)C)C(C)C

InChI:

InChI=1/C15H20ClNO/c1-11(2)17(12(3)4)15(18)10-7-13-5-8-14(16)9-6-13/h5-12H,1-4H3/b10-7-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.849 kcal/mol

Physical Properties
Molecular Weight: 265.784 g/mol	logS: -3.97397	SlogP: 3.9986	Reactive groups: 0

Topological Properties
Globularity: 0.166407	Sterimol/B1: 2.24348	Sterimol/B2: 3.04832	Sterimol/B3: 5.61878
Sterimol/B4: 6.083	Sterimol/L: 13.0228

Surface and Volume Properties
Accessible surface: 493.304	Positive charged surface: 273.341	Negative charged surface: 219.963	Volume: 269.75
Hydrophobic surface: 410.187	Hydrophilic surface: 83.117

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.