MMsINC Database Search


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MMsINC code: MMs01052933

Type: Neutral
Formula: C₁₉H₂₅N₃O₄

SMILES:

O=C1N(CC(=O)N2C1CCCC2)Cc1ccc(cc1)C(=O)NCCOC

InChI:

InChI=1/C19H25N3O4/c1-26-11-9-20-18(24)15-7-5-14(6-8-15)12-21-13-17(23)22-10-3-2-4-16(22)19(21)25/h5-8,16H,2-4,9-13H2,1H3,(H,20,24)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0856 kcal/mol

Physical Properties
Molecular Weight: 359.426 g/mol	logS: -2.68336	SlogP: 1.0525	Reactive groups: 0

Topological Properties
Globularity: 0.0657426	Sterimol/B1: 2.30461	Sterimol/B2: 3.1358	Sterimol/B3: 5.40214
Sterimol/B4: 7.31171	Sterimol/L: 18.9756

Surface and Volume Properties
Accessible surface: 639.466	Positive charged surface: 476.634	Negative charged surface: 162.832	Volume: 346.5
Hydrophobic surface: 514.431	Hydrophilic surface: 125.035

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.