MMsINC Database Search


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MMsINC code: MMs02614726

Type: Neutral
Formula: C₂₄H₁₇NOS

SMILES:

s1c2c(cc1C=1C=CC(=O)N(C=1)Cc1cc3c(cc1)cccc3)cccc2

InChI:

InChI=1/C24H17NOS/c26-24-12-11-21(23-14-20-7-3-4-8-22(20)27-23)16-25(24)15-17-9-10-18-5-1-2-6-19(18)13-17/h1-14,16H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.228 kcal/mol

Physical Properties
Molecular Weight: 367.472 g/mol	logS: -7.66097	SlogP: 6.2604	Reactive groups: 0

Topological Properties
Globularity: 0.0522637	Sterimol/B1: 2.47925	Sterimol/B2: 2.94611	Sterimol/B3: 5.06229
Sterimol/B4: 7.32289	Sterimol/L: 18.7948

Surface and Volume Properties
Accessible surface: 635.657	Positive charged surface: 314.275	Negative charged surface: 304.804	Volume: 357
Hydrophobic surface: 595.774	Hydrophilic surface: 39.883

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.