MMsINC Database Search


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MMsINC code: MMs01082248

Type: Neutral
Formula: C₁₉H₁₉N₅O₇

SMILES:

O=C1N(C)C(=O)N(c2ncn(c12)CC(=O)Nc1cc(ccc1C(OC)=O)C(OC)=O)C

InChI:

InChI=1/C19H19N5O7/c1-22-15-14(16(26)23(2)19(22)29)24(9-20-15)8-13(25)21-12-7-10(17(27)30-3)5-6-11(12)18(28)31-4/h5-7,9H,8H2,1-4H3,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.2652 kcal/mol

Physical Properties
Molecular Weight: 429.389 g/mol	logS: -3.44822	SlogP: 1.0032	Reactive groups: 0

Topological Properties
Globularity: 0.0980549	Sterimol/B1: 2.27299	Sterimol/B2: 5.5939	Sterimol/B3: 6.55275
Sterimol/B4: 8.09852	Sterimol/L: 17.2179

Surface and Volume Properties
Accessible surface: 687.98	Positive charged surface: 532.786	Negative charged surface: 155.194	Volume: 369.75
Hydrophobic surface: 505.506	Hydrophilic surface: 182.474

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.