MMsINC Database Search


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MMsINC code: MMs02681909

Type: Neutral
Formula: C₁₄H₁₀ClN₃OS

SMILES:

Clc1cc2NC(=S)N(Cc3ncccc3)C(=O)c2cc1

InChI:

InChI=1/C14H10ClN3OS/c15-9-4-5-11-12(7-9)17-14(20)18(13(11)19)8-10-3-1-2-6-16-10/h1-7H,8H2,(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.7131 kcal/mol

Physical Properties
Molecular Weight: 303.773 g/mol	logS: -4.46384	SlogP: 3.3542	Reactive groups: 0

Topological Properties
Globularity: 0.113613	Sterimol/B1: 2.5612	Sterimol/B2: 4.79174	Sterimol/B3: 4.84658
Sterimol/B4: 4.95899	Sterimol/L: 14.529

Surface and Volume Properties
Accessible surface: 484.026	Positive charged surface: 238.346	Negative charged surface: 245.68	Volume: 258.375
Hydrophobic surface: 366.685	Hydrophilic surface: 117.341

Pharmacophoric Properties
Hydrogen bond donors: 1	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.