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MMsINC code: MMs01022438

Type: Neutral
Formula: C₂₀H₂₃FN₄O₂

SMILES:

Fc1cc2N(CC(=O)NCCCN3CCCC3)C(=O)c3n(-c2cc1)ccc3

InChI:

InChI=1/C20H23FN4O2/c21-15-6-7-16-18(13-15)25(20(27)17-5-3-12-24(16)17)14-19(26)22-8-4-11-23-9-1-2-10-23/h3,5-7,12-13H,1-2,4,8-11,14H2,(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6818 kcal/mol

Physical Properties
Molecular Weight: 370.428 g/mol	logS: -3.03698	SlogP: 2.1787	Reactive groups: 0

Topological Properties
Globularity: 0.0360034	Sterimol/B1: 2.80027	Sterimol/B2: 3.02734	Sterimol/B3: 4.42173
Sterimol/B4: 8.04255	Sterimol/L: 19.251

Surface and Volume Properties
Accessible surface: 644.525	Positive charged surface: 410.739	Negative charged surface: 233.787	Volume: 350
Hydrophobic surface: 536.721	Hydrophilic surface: 107.804

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01022439
CHEMDIV-ZINC06782457