MMsINC Database Search


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MMsINC code: MMs01194528

Type: Neutral
Formula: C₂₁H₂₉FN₄O

SMILES:

Fc1ccc(cc1)Cn1ccnc1CN(C(=O)NC(C)C)C1CCCCC1

InChI:

InChI=1/C21H29FN4O/c1-16(2)24-21(27)26(19-6-4-3-5-7-19)15-20-23-12-13-25(20)14-17-8-10-18(22)11-9-17/h8-13,16,19H,3-7,14-15H2,1-2H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.9212 kcal/mol

Physical Properties
Molecular Weight: 372.488 g/mol	logS: -3.78473	SlogP: 4.856	Reactive groups: 0

Topological Properties
Globularity: 0.219689	Sterimol/B1: 2.98303	Sterimol/B2: 3.65511	Sterimol/B3: 5.50608
Sterimol/B4: 9.35933	Sterimol/L: 14.858

Surface and Volume Properties
Accessible surface: 637.45	Positive charged surface: 438.595	Negative charged surface: 198.856	Volume: 375.625
Hydrophobic surface: 555.394	Hydrophilic surface: 82.056

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.