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MMsINC code: MMs01502364

Type: Neutral
Formula: C₁₆H₁₆ClNOS

SMILES:

Clc1cc(NC(=O)c2sc3CCCCc3c2)ccc1C

InChI:

InChI=1/C16H16ClNOS/c1-10-6-7-12(9-13(10)17)18-16(19)15-8-11-4-2-3-5-14(11)20-15/h6-9H,2-5H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.7618 kcal/mol

Physical Properties
Molecular Weight: 305.829 g/mol	logS: -5.14511	SlogP: 4.84096	Reactive groups: 0

Topological Properties
Globularity: 0.0213506	Sterimol/B1: 3.00146	Sterimol/B2: 3.06987	Sterimol/B3: 4.14357
Sterimol/B4: 4.27257	Sterimol/L: 17.1003

Surface and Volume Properties
Accessible surface: 541.459	Positive charged surface: 302.729	Negative charged surface: 238.73	Volume: 284.125
Hydrophobic surface: 498.902	Hydrophilic surface: 42.557

Pharmacophoric Properties
Hydrogen bond donors: 1	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.