MMsINC Database Search


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MMsINC code: MMs01166370

Type: Neutral
Formula: C₂₄H₂₅FN₄O

SMILES:

Fc1ccc(cc1)C(=O)N1Cc2c(nc(nc2N(CC)CC)-c2ccccc2)CC1

InChI:

InChI=1/C24H25FN4O/c1-3-28(4-2)23-20-16-29(24(30)18-10-12-19(25)13-11-18)15-14-21(20)26-22(27-23)17-8-6-5-7-9-17/h5-13H,3-4,14-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.225 kcal/mol

Physical Properties
Molecular Weight: 404.489 g/mol	logS: -6.3063	SlogP: 4.59377	Reactive groups: 0

Topological Properties
Globularity: 0.1556	Sterimol/B1: 2.19914	Sterimol/B2: 3.55713	Sterimol/B3: 7.34541
Sterimol/B4: 7.65161	Sterimol/L: 16.9122

Surface and Volume Properties
Accessible surface: 656.468	Positive charged surface: 396.417	Negative charged surface: 253.812	Volume: 393.5
Hydrophobic surface: 562.666	Hydrophilic surface: 93.802

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.