MMsINC Database Search


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MMsINC code: MMs02230103

Type: Neutral
Formula: C₁₅H₂₀N₂O₃

SMILES:

OC(=O)Cc1ccc(NC(=O)NC2CCCCC2)cc1

InChI:

InChI=1/C15H20N2O3/c18-14(19)10-11-6-8-13(9-7-11)17-15(20)16-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H,18,19)(H2,16,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.295 kcal/mol

Physical Properties
Molecular Weight: 276.336 g/mol	logS: -2.9302	SlogP: 2.76787	Reactive groups: 0

Topological Properties
Globularity: 0.0539773	Sterimol/B1: 2.49905	Sterimol/B2: 3.59	Sterimol/B3: 3.92455
Sterimol/B4: 5.09629	Sterimol/L: 17.8001

Surface and Volume Properties
Accessible surface: 531.252	Positive charged surface: 377.868	Negative charged surface: 153.383	Volume: 269
Hydrophobic surface: 381.836	Hydrophilic surface: 149.416

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02230104
NCID-ZINC01569461