MMsINC Database Search


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MMsINC code: MMs01354151

Type: Neutral
Formula: C₁₉H₂₅N₃O₃

SMILES:

O=C1N(CC(=O)NCc2ccc(cc2)C)C(=O)NC12CCCCCC2

InChI:

InChI=1/C19H25N3O3/c1-14-6-8-15(9-7-14)12-20-16(23)13-22-17(24)19(21-18(22)25)10-4-2-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,20,23)(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.3165 kcal/mol

Physical Properties
Molecular Weight: 343.427 g/mol	logS: -4.43524	SlogP: 2.52242	Reactive groups: 0

Topological Properties
Globularity: 0.0484366	Sterimol/B1: 3.43606	Sterimol/B2: 3.76689	Sterimol/B3: 3.86115
Sterimol/B4: 4.19285	Sterimol/L: 19.7321

Surface and Volume Properties
Accessible surface: 617.032	Positive charged surface: 400.933	Negative charged surface: 216.099	Volume: 332.75
Hydrophobic surface: 489.346	Hydrophilic surface: 127.686

Pharmacophoric Properties
Hydrogen bond donors: 2	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.