MMsINC Database Search


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MMsINC code: MMs01177894

Type: Neutral
Formula: C₁₉H₂₇ClN₄O₄

SMILES:

Clc1cccc(N2CN(CC2=O)C(=O)CN(CCCOC)C(=O)N(C)C)c1C

InChI:

InChI=1/C19H27ClN4O4/c1-14-15(20)7-5-8-16(14)24-13-23(12-18(24)26)17(25)11-22(9-6-10-28-4)19(27)21(2)3/h5,7-8H,6,9-13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=204.591 kcal/mol

Physical Properties
Molecular Weight: 410.902 g/mol	logS: -2.44288	SlogP: 1.80122	Reactive groups: 0

Topological Properties
Globularity: 0.047175	Sterimol/B1: 2.87674	Sterimol/B2: 3.82558	Sterimol/B3: 5.06496
Sterimol/B4: 8.27322	Sterimol/L: 18.5633

Surface and Volume Properties
Accessible surface: 691.474	Positive charged surface: 477.614	Negative charged surface: 213.86	Volume: 383.625
Hydrophobic surface: 580.521	Hydrophilic surface: 110.953

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.