MMsINC Database Search


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MMsINC code: MMs01032399

Type: Neutral
Formula: C₂₀H₂₁FN₄O₃

SMILES:

Fc1ccccc1NC(=O)CN1c2ncccc2C(=O)N(CCC(C)C)C1=O

InChI:

InChI=1/C20H21FN4O3/c1-13(2)9-11-24-19(27)14-6-5-10-22-18(14)25(20(24)28)12-17(26)23-16-8-4-3-7-15(16)21/h3-8,10,13H,9,11-12H2,1-2H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8008 kcal/mol

Physical Properties
Molecular Weight: 384.411 g/mol	logS: -4.62987	SlogP: 3.2877	Reactive groups: 0

Topological Properties
Globularity: 0.077686	Sterimol/B1: 2.93061	Sterimol/B2: 3.73377	Sterimol/B3: 4.81419
Sterimol/B4: 8.61603	Sterimol/L: 17.9281

Surface and Volume Properties
Accessible surface: 643.272	Positive charged surface: 412.542	Negative charged surface: 230.73	Volume: 354.75
Hydrophobic surface: 501.257	Hydrophilic surface: 142.015

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.