MMsINC Database Search


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MMsINC code: MMs02064591

Type: Neutral
Formula: C₂₀H₂₄N₄O₄

SMILES:

O=C1N(CCC1)CCCNC(=O)C(=O)Nc1cc2CC(=O)N3CCCc(c1)c23

InChI:

InChI=1/C20H24N4O4/c25-16-5-2-7-23(16)8-3-6-21-19(27)20(28)22-15-10-13-4-1-9-24-17(26)12-14(11-15)18(13)24/h10-11H,1-9,12H2,(H,21,27)(H,22,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4104 kcal/mol

Physical Properties
Molecular Weight: 384.436 g/mol	logS: -2.92603	SlogP: 0.58904	Reactive groups: 0

Topological Properties
Globularity: 0.0280333	Sterimol/B1: 2.75909	Sterimol/B2: 2.90959	Sterimol/B3: 4.26187
Sterimol/B4: 6.68429	Sterimol/L: 20.6146

Surface and Volume Properties
Accessible surface: 671.129	Positive charged surface: 486.827	Negative charged surface: 184.302	Volume: 356.5
Hydrophobic surface: 485.025	Hydrophilic surface: 186.104

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: no related molecules available.