MMsINC Database Search


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MMsINC code: MMs02799247

Type: Neutral
Formula: C₂₀H₂₅N₃O₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)Nc1cnc(NC(=O)CCC)cc1C

InChI:

InChI=1/C20H25N3O5/c1-6-7-18(24)23-17-8-12(2)14(11-21-17)22-20(25)13-9-15(26-3)19(28-5)16(10-13)27-4/h8-11H,6-7H2,1-5H3,(H,22,25)(H,21,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.833 kcal/mol

Physical Properties
Molecular Weight: 387.436 g/mol	logS: -3.64604	SlogP: 3.40672	Reactive groups: 0

Topological Properties
Globularity: 0.0197167	Sterimol/B1: 3.03383	Sterimol/B2: 3.48993	Sterimol/B3: 5.08247
Sterimol/B4: 6.63401	Sterimol/L: 21.3527

Surface and Volume Properties
Accessible surface: 698.878	Positive charged surface: 546.385	Negative charged surface: 152.493	Volume: 371
Hydrophobic surface: 560.193	Hydrophilic surface: 138.685

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.