MMsINC Database Search


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MMsINC code: MMs01611204

Type: Neutral
Formula: C₁₉H₂₅N₃O₃

SMILES:

O=C1N(CC(=O)Nc2cc(C)c(cc2)C)C(=O)N(C)C12CCCCC2

InChI:

InChI=1/C19H25N3O3/c1-13-7-8-15(11-14(13)2)20-16(23)12-22-17(24)19(21(3)18(22)25)9-5-4-6-10-19/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.585 kcal/mol

Physical Properties
Molecular Weight: 343.427 g/mol	logS: -4.34391	SlogP: 2.83884	Reactive groups: 0

Topological Properties
Globularity: 0.0655354	Sterimol/B1: 2.50461	Sterimol/B2: 3.72066	Sterimol/B3: 4.36651
Sterimol/B4: 6.33784	Sterimol/L: 17.2132

Surface and Volume Properties
Accessible surface: 594.223	Positive charged surface: 401.877	Negative charged surface: 192.346	Volume: 333.5
Hydrophobic surface: 492.262	Hydrophilic surface: 101.961

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.