MMsINC Database Search


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MMsINC code: MMs01266661

Type: Neutral
Formula: C₁₅H₁₄ClN₃O₂S

SMILES:

Clc1ccc(nc1)NC(=O)CSc1ccc(NC(=O)C)cc1

InChI:

InChI=1/C15H14ClN3O2S/c1-10(20)18-12-3-5-13(6-4-12)22-9-15(21)19-14-7-2-11(16)8-17-14/h2-8H,9H2,1H3,(H,18,20)(H,17,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.628 kcal/mol

Physical Properties
Molecular Weight: 335.815 g/mol	logS: -4.39957	SlogP: 3.4242	Reactive groups: 0

Topological Properties
Globularity: 0.00546811	Sterimol/B1: 2.54867	Sterimol/B2: 2.57512	Sterimol/B3: 2.61894
Sterimol/B4: 6.20088	Sterimol/L: 20.7216

Surface and Volume Properties
Accessible surface: 578.692	Positive charged surface: 312.79	Negative charged surface: 265.902	Volume: 296
Hydrophobic surface: 430.077	Hydrophilic surface: 148.615

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.