MMsINC Database Search


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MMsINC code: MMs01130917

Type: Neutral
Formula: C₁₈H₂₅N₃O₄

SMILES:

O=C1N(CN(C1)C(=O)CN(C(=O)CC)CCOC)c1cc(ccc1)C

InChI:

InChI=1/C18H25N3O4/c1-4-16(22)19(8-9-25-3)11-17(23)20-12-18(24)21(13-20)15-7-5-6-14(2)10-15/h5-7,10H,4,8-9,11-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4691 kcal/mol

Physical Properties
Molecular Weight: 347.415 g/mol	logS: -2.29417	SlogP: 1.01272	Reactive groups: 0

Topological Properties
Globularity: 0.0770518	Sterimol/B1: 2.10648	Sterimol/B2: 2.29735	Sterimol/B3: 5.2447
Sterimol/B4: 9.07822	Sterimol/L: 17.1136

Surface and Volume Properties
Accessible surface: 637.679	Positive charged surface: 457.731	Negative charged surface: 179.949	Volume: 341.875
Hydrophobic surface: 515.185	Hydrophilic surface: 122.494

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.