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MMsINC code: MMs00390824

Type: Neutral
Formula: C₁₉H₂₆N₄O₃

SMILES:

OC=1c2c(N(CCC)C(=O)C=1C(=O)NCCN1CCNCC1)cccc2

InChI:

InChI=1/C19H26N4O3/c1-2-10-23-15-6-4-3-5-14(15)17(24)16(19(23)26)18(25)21-9-13-22-11-7-20-8-12-22/h3-6,20,24H,2,7-13H2,1H3,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8747 kcal/mol

Physical Properties
Molecular Weight: 358.442 g/mol	logS: -2.30809	SlogP: 0.7337	Reactive groups: 0

Topological Properties
Globularity: 0.0330603	Sterimol/B1: 2.23833	Sterimol/B2: 3.38034	Sterimol/B3: 3.93286
Sterimol/B4: 9.18636	Sterimol/L: 18.0026

Surface and Volume Properties
Accessible surface: 639.137	Positive charged surface: 472.906	Negative charged surface: 166.23	Volume: 349.5
Hydrophobic surface: 481.471	Hydrophilic surface: 157.666

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00390825
ASINEX-ZINC04871740