MMsINC Database Search


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MMsINC code: MMs00116983

Type: Neutral
Formula: C₁₅H₁₄N₂OS

SMILES:

S=C(Nc1ccc(cc1)C)NC(=O)c1ccccc1

InChI:

InChI=1/C15H14N2OS/c1-11-7-9-13(10-8-11)16-15(19)17-14(18)12-5-3-2-4-6-12/h2-10H,1H3,(H2,16,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.924 kcal/mol

Physical Properties
Molecular Weight: 270.356 g/mol	logS: -5.29228	SlogP: 3.12182	Reactive groups: 0

Topological Properties
Globularity: 0.0155183	Sterimol/B1: 2.73073	Sterimol/B2: 2.98671	Sterimol/B3: 3.45944
Sterimol/B4: 4.30884	Sterimol/L: 17.3018

Surface and Volume Properties
Accessible surface: 504.345	Positive charged surface: 269.294	Negative charged surface: 235.051	Volume: 258.25
Hydrophobic surface: 397.457	Hydrophilic surface: 106.888

Pharmacophoric Properties
Hydrogen bond donors: 2	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.