MMsINC Database Search


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MMsINC code: MMs01697557

Type: Neutral
Formula: C₁₉H₂₀F₄N₄O

SMILES:

Fc1cc(ccc1NC(=O)CN1CCN(CC1)c1ncc(cc1)C(F)(F)F)C

InChI:

InChI=1/C19H20F4N4O/c1-13-2-4-16(15(20)10-13)25-18(28)12-26-6-8-27(9-7-26)17-5-3-14(11-24-17)19(21,22)23/h2-5,10-11H,6-9,12H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.521 kcal/mol

Physical Properties
Molecular Weight: 396.388 g/mol	logS: -4.23402	SlogP: 3.62012	Reactive groups: 0

Topological Properties
Globularity: 0.0387654	Sterimol/B1: 2.48618	Sterimol/B2: 3.1582	Sterimol/B3: 3.94118
Sterimol/B4: 6.82853	Sterimol/L: 20.1553

Surface and Volume Properties
Accessible surface: 644.157	Positive charged surface: 387.432	Negative charged surface: 256.725	Volume: 343.5
Hydrophobic surface: 482.077	Hydrophilic surface: 162.08

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

MMs01697558
ENAMINE-ZINC06787692