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MMsINC code: MMs00883867

Type: Neutral
Formula: C₁₇H₂₁N₃O₄

SMILES:

O1CCN(CC1)CCCNC(=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C17H21N3O4/c21-15(18-6-3-7-19-8-10-24-11-9-19)12-20-16(22)13-4-1-2-5-14(13)17(20)23/h1-2,4-5H,3,6-12H2,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2724 kcal/mol

Physical Properties
Molecular Weight: 331.372 g/mol	logS: -2.49844	SlogP: 0.1211	Reactive groups: 0

Topological Properties
Globularity: 0.0368535	Sterimol/B1: 2.23615	Sterimol/B2: 3.82159	Sterimol/B3: 3.93443
Sterimol/B4: 4.99985	Sterimol/L: 19.6909

Surface and Volume Properties
Accessible surface: 603.626	Positive charged surface: 430.139	Negative charged surface: 173.487	Volume: 313.5
Hydrophobic surface: 460.891	Hydrophilic surface: 142.735

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs00883868
CHEMDIV-ZINC02679562