MMsINC Database Search


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MMsINC code: MMs01425664

Type: Neutral
Formula: C₁₄H₂₀N₂O₃S

SMILES:

S(=O)(=O)(NC)c1cc(ccc1)C(=O)N1CCC(CC1)C

InChI:

InChI=1/C14H20N2O3S/c1-11-6-8-16(9-7-11)14(17)12-4-3-5-13(10-12)20(18,19)15-2/h3-5,10-11,15H,6-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.5738 kcal/mol

Physical Properties
Molecular Weight: 296.391 g/mol	logS: -2.53237	SlogP: 1.4668	Reactive groups: 0

Topological Properties
Globularity: 0.137588	Sterimol/B1: 2.754	Sterimol/B2: 3.35903	Sterimol/B3: 5.33832
Sterimol/B4: 6.08751	Sterimol/L: 14.6054

Surface and Volume Properties
Accessible surface: 518.477	Positive charged surface: 346.715	Negative charged surface: 171.762	Volume: 274
Hydrophobic surface: 375.855	Hydrophilic surface: 142.622

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.