MMsINC Database Search


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MMsINC code: MMs01389734

Type: Neutral
Formula: C₁₈H₁₈ClFN₂O₂S

SMILES:

Clc1cccc(F)c1CC(=O)N(CC(=O)Nc1ccccc1SC)C

InChI:

InChI=1/C18H18ClFN2O2S/c1-22(18(24)10-12-13(19)6-5-7-14(12)20)11-17(23)21-15-8-3-4-9-16(15)25-2/h3-9H,10-11H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.9964 kcal/mol

Physical Properties
Molecular Weight: 380.871 g/mol	logS: -5.53359	SlogP: 3.84057	Reactive groups: 0

Topological Properties
Globularity: 0.0573906	Sterimol/B1: 2.18747	Sterimol/B2: 2.48207	Sterimol/B3: 5.11586
Sterimol/B4: 7.46241	Sterimol/L: 17.3755

Surface and Volume Properties
Accessible surface: 623.245	Positive charged surface: 334.997	Negative charged surface: 288.248	Volume: 340.125
Hydrophobic surface: 536.732	Hydrophilic surface: 86.513

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.