MMsINC Database Search


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MMsINC code: MMs01072132

Type: Neutral
Formula: C₁₄H₁₈ClNO

SMILES:

Clc1cc(ccc1)C(=O)N(C)C1CCCCC1

InChI:

InChI=1/C14H18ClNO/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(15)10-11/h5-7,10,13H,2-4,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.0502 kcal/mol

Physical Properties
Molecular Weight: 251.757 g/mol	logS: -3.63045	SlogP: 3.7447	Reactive groups: 0

Topological Properties
Globularity: 0.083821	Sterimol/B1: 2.2753	Sterimol/B2: 2.86505	Sterimol/B3: 4.40358
Sterimol/B4: 5.23201	Sterimol/L: 14.7683

Surface and Volume Properties
Accessible surface: 467.926	Positive charged surface: 282.144	Negative charged surface: 185.782	Volume: 248.125
Hydrophobic surface: 437.422	Hydrophilic surface: 30.504

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.