MMsINC Database Search


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MMsINC code: MMs03440401

Type: Neutral
Formula: C₁₅H₂₀ClNO

SMILES:

Clc1cc(ccc1)\C=C\C(=O)N(C(C)C)C(C)C

InChI:

InChI=1/C15H20ClNO/c1-11(2)17(12(3)4)15(18)9-8-13-6-5-7-14(16)10-13/h5-12H,1-4H3/b9-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.9546 kcal/mol

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

Topological Properties
Globularity: 0.087521	Sterimol/B1: 2.3606	Sterimol/B2: 3.38782	Sterimol/B3: 4.92159
Sterimol/B4: 5.70182	Sterimol/L: 14.5181

Surface and Volume Properties
Accessible surface: 498.123	Positive charged surface: 257.828	Negative charged surface: 240.295	Volume: 273.25
Hydrophobic surface: 396.887	Hydrophilic surface: 101.236

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.