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MMsINC code: MMs00483896

Type: Neutral
Formula: C₁₉H₂₁N₃O₃

SMILES:

Oc1ccc(cc1)CC(N)C(=O)N1Cc2c(CC1C(=O)N)cccc2

InChI:

InChI=1/C19H21N3O3/c20-16(9-12-5-7-15(23)8-6-12)19(25)22-11-14-4-2-1-3-13(14)10-17(22)18(21)24/h1-8,16-17,23H,9-11,20H2,(H2,21,24)/t16-,17+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.903 kcal/mol

Physical Properties
Molecular Weight: 339.395 g/mol	logS: -3.04623	SlogP: 0.96714	Reactive groups: 0

Topological Properties
Globularity: 0.0606086	Sterimol/B1: 2.80339	Sterimol/B2: 3.11694	Sterimol/B3: 4.01534
Sterimol/B4: 8.6228	Sterimol/L: 15.4079

Surface and Volume Properties
Accessible surface: 572.307	Positive charged surface: 348.406	Negative charged surface: 223.901	Volume: 322.125
Hydrophobic surface: 376.602	Hydrophilic surface: 195.705

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00483897
BACHEM-ZINC02560780