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MMsINC code: MMs02064556

Type: Neutral
Formula: C₁₉H₂₆N₄O₃

SMILES:

O=C1N2CCCc3cc(NC(=O)C(=O)NCCN(CC)CC)cc(C1)c23

InChI:

InChI=1/C19H26N4O3/c1-3-22(4-2)9-7-20-18(25)19(26)21-15-10-13-6-5-8-23-16(24)12-14(11-15)17(13)23/h10-11H,3-9,12H2,1-2H3,(H,20,25)(H,21,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4309 kcal/mol

Physical Properties
Molecular Weight: 358.442 g/mol	logS: -2.97746	SlogP: 0.91834	Reactive groups: 0

Topological Properties
Globularity: 0.038182	Sterimol/B1: 1.97068	Sterimol/B2: 3.62294	Sterimol/B3: 5.40459
Sterimol/B4: 5.73622	Sterimol/L: 19.874

Surface and Volume Properties
Accessible surface: 655.979	Positive charged surface: 483.099	Negative charged surface: 172.88	Volume: 348
Hydrophobic surface: 465.203	Hydrophilic surface: 190.776

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02064557
IFLAB-ZINC04850565