MMsINC Database Search


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MMsINC code: MMs03426753

Type: Neutral
Formula: C₂₀H₂₀N₂O₅

SMILES:

o1c(C)c(cc1C(OC)=O)-c1cnc(nc1-c1ccc(OC)c(C)c1O)C

InChI:

InChI=1/C20H20N2O5/c1-10-16(25-4)7-6-13(19(10)23)18-15(9-21-12(3)22-18)14-8-17(20(24)26-5)27-11(14)2/h6-9,23H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.314 kcal/mol

Physical Properties
Molecular Weight: 368.389 g/mol	logS: -5.39718	SlogP: 3.82966	Reactive groups: 0

Topological Properties
Globularity: 0.144032	Sterimol/B1: 3.7489	Sterimol/B2: 3.83296	Sterimol/B3: 4.70026
Sterimol/B4: 9.35337	Sterimol/L: 15.3493

Surface and Volume Properties
Accessible surface: 629.647	Positive charged surface: 462.092	Negative charged surface: 165.335	Volume: 345.875
Hydrophobic surface: 509.636	Hydrophilic surface: 120.011

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: no related molecules available.