MMsINC Database Search


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MMsINC code: MMs01725210

Type: Neutral
Formula: C₁₉H₂₇N₅O₃

SMILES:

O(C)c1cc2c(nc(nc2N)N2CCCN(CC2)C(=O)CCC)cc1OC

InChI:

InChI=1/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.964 kcal/mol

Physical Properties
Molecular Weight: 373.457 g/mol	logS: -3.93801	SlogP: 2.068	Reactive groups: 0

Topological Properties
Globularity: 0.11543	Sterimol/B1: 2.28626	Sterimol/B2: 2.8944	Sterimol/B3: 6.13368
Sterimol/B4: 8.146	Sterimol/L: 17.4458

Surface and Volume Properties
Accessible surface: 650.793	Positive charged surface: 531.816	Negative charged surface: 114.07	Volume: 359.125
Hydrophobic surface: 483.788	Hydrophilic surface: 167.005

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.