MMsINC Database Search


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MMsINC code: MMs02814908

Type: Neutral
Formula: C₂₄H₂₁N₃O

SMILES:

O(C)c1ccc(-n2nc-3c(CCCc4c-3cccc4)c2-c2cccnc2)cc1

InChI:

InChI=1/C24H21N3O/c1-28-20-13-11-19(12-14-20)27-24(18-8-5-15-25-16-18)22-10-4-7-17-6-2-3-9-21(17)23(22)26-27/h2-3,5-6,8-9,11-16H,4,7,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.337 kcal/mol

Physical Properties
Molecular Weight: 367.452 g/mol	logS: -6.16896	SlogP: 5.09854	Reactive groups: 0

Topological Properties
Globularity: 0.0666997	Sterimol/B1: 2.84174	Sterimol/B2: 3.80527	Sterimol/B3: 4.45261
Sterimol/B4: 7.80277	Sterimol/L: 17.5668

Surface and Volume Properties
Accessible surface: 617.142	Positive charged surface: 413.342	Negative charged surface: 203.801	Volume: 364.125
Hydrophobic surface: 574.748	Hydrophilic surface: 42.394

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.